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rdkit/Projects/DbCLI/testData/bzr.sdf
Greg Landrum 144a0a14dc backup update, getting ready to setup tests
2007-10-04 05:33:44 +00:00

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Adinazolam
25 28 0 0 0 0 0 0 0 0999 V2000
0.2640 2.1660 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0430 0.7800 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1520 -0.2320 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2090 -0.1360 0.9660 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3780 1.0510 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5640 2.2460 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5690 2.7140 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1270 3.8290 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3320 4.0420 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6100 3.0460 0.8990 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4930 4.6050 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3640 5.6890 -2.1500 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5750 6.5690 -3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4890 5.1300 -2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0470 -1.4480 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4910 -2.6820 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4100 -3.8240 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8950 -3.7350 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4650 -2.5060 -2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5440 -1.3600 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 0.2880 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3520 1.1570 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1370 2.5210 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8350 3.0270 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9590 0.5400 0.0420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 24 1 0
2 3 1 0
2 21 1 0
3 4 2 0
3 15 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
11 12 1 0
12 13 1 0
12 14 1 0
15 16 2 0
15 20 1 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
21 22 2 0
22 23 1 0
22 25 1 0
23 24 2 0
M END
> <ACTIVITY> (1)
6.87
$$$$
Alprazolam
22 25 0 0 0 0 0 0 0 0999 V2000
0.2620 2.1700 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 0.7830 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1560 -0.2300 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2160 -0.1370 0.9630 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3920 1.0490 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5740 2.2440 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5650 2.7240 0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1130 3.8540 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3400 4.0380 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6290 3.0300 0.8690 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4840 4.6740 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0460 -1.4460 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -2.6810 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4020 -3.8220 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8850 -3.7320 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 -2.5010 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 -1.3560 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 0.2870 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3510 1.1500 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1400 2.5130 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 3.0250 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9550 0.5270 0.0280 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
18 19 2 0
19 20 1 0
19 22 1 0
20 21 2 0
M END
> <ACTIVITY> (2)
7.7
$$$$
Bromazepam
19 21 0 0 0 0 0 0 0 0999 V2000
-2.0990 2.5010 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 1.1420 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2740 0.2630 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0470 0.7440 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 2.1260 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7930 2.9880 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 2.7340 0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6270 2.2550 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4060 1.0180 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -0.1570 0.9210 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1620 -0.2580 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0290 -1.4640 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4240 -2.7240 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2650 -3.7990 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7140 -3.5840 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3360 -2.2970 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4760 -1.2280 -1.8950 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7080 2.8530 0.8890 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1060 0.4810 -0.0970 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (3)
7.74
$$$$
Chlordiazepoxide
21 23 0 0 0 0 0 0 0 0999 V2000
-0.0910 2.0860 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2000 0.6830 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9990 -0.2010 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0630 0.1350 0.7870 N 0 3 0 0 0 0 0 0 0 0 0 0
2.1220 1.3680 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1400 2.5130 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1130 2.8070 -0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2990 3.2480 0.5150 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4610 4.4220 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1100 -0.6190 0.8050 O 0 5 0 0 0 0 0 0 0 0 0 0
0.9880 -1.4560 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4820 -1.4380 -2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4280 -2.6220 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8710 -3.8180 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3680 -3.8350 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4250 -2.6540 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4650 0.0740 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6180 0.8550 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5270 2.2390 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 2.8450 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1640 0.1030 0.1650 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 20 1 0
2 3 1 0
2 17 1 0
3 4 2 0
3 11 1 0
4 5 1 0
4 10 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
17 18 2 0
18 19 1 0
18 21 1 0
19 20 2 0
M END
> <ACTIVITY> (4)
6.45
$$$$
Clobazam
21 23 0 0 0 0 0 0 0 0999 V2000
0.2930 2.1180 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 0.7210 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 -0.2890 0.2100 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2570 -0.1330 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3350 1.1000 1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 2.2620 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6010 2.7110 0.0910 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 3.9340 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7540 2.7970 0.9270 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 -0.9160 0.9300 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8640 -1.4970 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2700 -1.4540 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0670 -2.6220 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4580 -3.8540 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0550 -3.9170 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2600 -2.7480 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3030 0.2780 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3680 1.1650 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1260 2.5190 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8100 2.9860 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9840 0.5760 0.0340 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 20 1 0
2 3 1 0
2 17 1 0
3 4 1 0
3 11 1 0
4 5 1 0
4 10 2 0
5 6 1 0
6 7 1 0
6 9 2 0
7 8 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
17 18 2 0
18 19 1 0
18 21 1 0
19 20 2 0
M END
> <ACTIVITY> (5)
6.89
$$$$
Clonazepam
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1020 2.4770 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3290 1.1080 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 0.2350 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0590 0.7350 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1220 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8000 2.9740 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5340 2.7480 0.2390 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 2.2850 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 1.0470 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2840 -0.1320 0.9260 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1850 -0.2540 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0570 -1.4720 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5110 -2.6890 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4020 -3.8580 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8400 -3.8160 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3860 -2.6050 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4910 -1.4280 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0420 0.0450 -2.6030 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7020 2.9020 0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6970 0.5800 -0.1820 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.8700 -0.6400 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6230 1.3750 -0.4300 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
20 21 2 0
20 22 1 0
M END
> <ACTIVITY> (6)
8.74
$$$$
Clorazepate
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1080 2.5070 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3420 1.1480 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2770 0.2700 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0420 0.7550 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2770 2.1370 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8020 2.9980 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 2.7440 0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6350 2.2630 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4110 1.0430 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2420 -0.1450 0.9330 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1580 -0.2450 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0370 -1.4570 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4750 -2.6950 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3790 -3.8340 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8560 -3.7370 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 -2.5020 -2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 -1.3600 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5890 0.8060 2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8940 1.4520 3.7300 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3510 -0.2470 2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7150 2.8580 0.8190 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9520 0.5420 -0.0550 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 22 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 21 2 0
9 10 1 0
9 18 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
18 19 2 0
18 20 1 0
M END
> <ACTIVITY> (7)
7.23
$$$$
Delorazepam
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1060 2.4660 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3220 1.1020 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2490 0.2380 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0640 0.7390 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1260 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8080 2.9730 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5330 2.7570 0.2430 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 2.2930 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4700 1.0520 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3000 -0.1250 0.9100 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1910 -0.2480 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0510 -1.4670 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5130 -2.6830 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3930 -3.8530 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8120 -3.8110 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3500 -2.6000 -2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4660 -1.4230 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0760 0.0500 -2.5820 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7090 2.9130 0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9220 0.4730 -0.1360 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (8)
8.74
$$$$
Demoxepam
20 22 0 0 0 0 0 0 0 0999 V2000
0.2850 2.1280 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0730 0.7380 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1900 -0.2520 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2910 -0.0610 0.9120 N 0 3 0 0 0 0 0 0 0 0 0 0
2.4730 1.0890 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6410 2.2960 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5370 2.7560 0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7080 2.9180 0.8710 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2630 -0.9080 0.8600 O 0 5 0 0 0 0 0 0 0 0 0 0
1.0670 -1.4620 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5110 -1.3420 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3530 -2.4800 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7440 -3.7300 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2930 -3.8460 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4540 -2.7120 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2370 0.2360 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3140 1.1010 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 2.4680 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8060 2.9780 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9130 0.4700 -0.1440 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 19 1 0
2 3 1 0
2 16 1 0
3 4 2 0
3 10 1 0
4 5 1 0
4 9 1 0
5 6 1 0
6 7 1 0
6 8 2 0
10 11 2 0
10 15 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
16 17 2 0
17 18 1 0
17 20 1 0
18 19 2 0
M END
> <ACTIVITY> (9)
6.51
$$$$
Desmethylclobazam
20 22 0 0 0 0 0 0 0 0999 V2000
0.2850 2.0670 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0220 0.6800 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0480 -0.3420 0.2840 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2970 -0.1660 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4550 1.0490 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 2.2550 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5470 2.6830 0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7010 2.8840 0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2520 -0.9460 0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 -1.5890 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1560 -1.6160 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0960 -2.8260 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2730 -4.0300 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9000 -4.0230 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1550 -2.8120 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3340 0.2740 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3730 1.1810 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0970 2.5220 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7750 2.9590 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0030 0.6290 -0.0020 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 19 1 0
2 3 1 0
2 16 1 0
3 4 1 0
3 10 1 0
4 5 1 0
4 9 2 0
5 6 1 0
6 7 1 0
6 8 2 0
10 11 2 0
10 15 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
16 17 2 0
17 18 1 0
17 20 1 0
18 19 2 0
M END
> <ACTIVITY> (10)
6.68
$$$$
Desmethyltetrazepam
19 21 0 0 0 0 0 0 0 0999 V2000
-2.1110 2.5190 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3550 1.1630 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2970 0.2790 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0280 0.7520 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2730 2.1320 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8010 3.0000 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 2.7330 0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6350 2.2480 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 1.0240 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2360 -0.1630 0.9240 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1360 -0.2560 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9540 -1.4780 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5620 -1.3470 -1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3540 -2.5170 -2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3340 -3.8600 -2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4370 -3.9310 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2920 -2.8110 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7200 2.8360 0.8170 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9690 0.5690 -0.0430 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
M END
> <ACTIVITY> (11)
7.47
$$$$
Diazepam
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1340 2.5050 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3560 1.1480 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2800 0.2830 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0390 0.7770 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 2.1610 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8280 3.0040 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 2.7420 0.1020 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6360 2.2370 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3000 1.0700 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1830 -0.1410 0.9950 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1390 -0.2360 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0410 -1.4460 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 -1.3520 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4700 -2.4930 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9020 -3.7240 -2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4130 -3.8190 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -2.6820 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7740 2.7240 0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8390 3.9820 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9620 0.5330 0.0470 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (12)
8.09
$$$$
Estazolam
21 24 0 0 0 0 0 0 0 0999 V2000
0.2520 2.1720 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0510 0.7830 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1710 -0.2230 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2590 -0.1290 0.9240 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4690 1.0400 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5920 2.2610 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5340 2.7530 0.2080 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9870 3.9590 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2390 4.1540 0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6230 3.0820 0.8520 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -1.4400 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 -2.6780 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3720 -3.8190 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8450 -3.7250 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4270 -2.4910 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5280 -1.3460 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2620 0.2780 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3460 1.1310 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 2.4920 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8490 3.0160 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9440 0.4920 -0.0290 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 20 1 0
2 3 1 0
2 17 1 0
3 4 2 0
3 11 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
17 18 2 0
18 19 1 0
18 21 1 0
19 20 2 0
M END
> <ACTIVITY> (13)
8.07
$$$$
Etizolam
23 26 0 0 0 0 0 0 0 0999 V2000
0.1810 2.0600 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0930 0.6760 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2260 -0.2600 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3320 -0.0750 0.8230 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 1.0680 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4730 2.3630 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3450 2.8190 0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6910 4.1170 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9290 4.3760 0.3480 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4190 3.2800 0.9910 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8590 5.0540 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 -1.4930 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5780 -2.6950 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4580 -3.8760 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8500 -3.8590 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3610 -2.6610 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 -1.4730 -1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1070 -0.0170 -2.6090 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2900 0.2840 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1560 1.3530 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3140 2.8330 -0.0250 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.6480 1.3240 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0600 1.2810 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
20 22 1 0
22 23 1 0
M END
> <ACTIVITY> (14)
8.51
$$$$
Flunitrazepam
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1360 2.4940 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3560 1.1300 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2730 0.2630 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 0.7670 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 2.1530 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8280 2.9930 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5940 2.7400 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 2.2430 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3150 1.0750 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2020 -0.1370 0.9940 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 -0.2410 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0480 -1.4470 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4260 -2.7030 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3170 -3.8300 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8280 -3.7070 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4460 -2.4570 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5540 -1.3340 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2030 -0.1410 -2.4310 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7750 2.7380 0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8330 3.9790 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7270 0.6020 0.0050 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.8890 -0.6190 0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6660 1.3980 -0.1810 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
21 22 2 0
21 23 1 0
M END
> <ACTIVITY> (15)
8.42
$$$$
Halazepam
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1460 2.4930 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3600 1.1370 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2800 0.2810 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0360 0.7840 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2770 2.1720 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8420 3.0030 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5880 2.7570 0.1230 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6360 2.2250 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2970 1.0710 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1760 -0.1420 1.0100 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1360 -0.2310 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0400 -1.4400 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5430 -1.3420 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4730 -2.4810 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9060 -3.7130 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4160 -3.8110 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -2.6760 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 2.6780 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8790 3.9960 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9360 5.2830 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 6.3600 -0.5980 F 0 0 0 0 0 0 0 0 0 0 0 0
0.7630 5.5420 0.8200 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8970 5.2550 1.1440 F 0 0 0 0 0 0 0 0 0 0 0 0
-3.9630 0.5110 0.0360 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 24 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
20 21 1 0
20 22 1 0
20 23 1 0
M END
> <ACTIVITY> (16)
7.04
$$$$
Lorazepam
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1160 2.5030 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3330 1.1350 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2610 0.2630 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 0.7620 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2720 2.1500 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8170 3.0070 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5280 2.7690 0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6390 2.2760 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4530 0.9920 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2740 -0.1410 0.8760 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1790 -0.2260 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0390 -1.4310 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 -2.6560 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3590 -3.8230 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8160 -3.7690 -2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 -2.5480 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5110 -1.3740 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0280 0.1060 -2.7240 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.5700 0.7950 2.6320 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 2.8890 0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9350 0.5130 -0.1290 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 20 2 0
9 10 1 0
9 19 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (17)
8.46
$$$$
Meclonazepam
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1000 2.4800 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3300 1.1120 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2590 0.2360 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0560 0.7340 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 2.1190 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7960 2.9740 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 2.7410 0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 2.2840 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4420 1.0400 1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 -0.1330 0.9300 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1800 -0.2550 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0550 -1.4720 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5060 -2.6900 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3970 -3.8580 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 -3.8140 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 -2.6010 -2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4920 -1.4260 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0370 0.0490 -2.6050 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6590 0.7860 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6980 2.9160 0.8610 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6990 0.5870 -0.1790 N 0 3 0 0 0 0 0 0 0 0 0 0
-4.6290 1.3900 -0.3820 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8710 -0.6390 -0.0430 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 20 2 0
9 10 1 0
9 19 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
21 22 2 0
21 23 1 0
M END
> <ACTIVITY> (18)
8.92
$$$$
Medazepam
19 21 0 0 0 0 0 0 0 0999 V2000
0.2890 2.1490 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0070 0.7720 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1130 -0.2340 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1260 -0.1380 1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1840 1.0590 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5310 2.3060 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5870 2.6440 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 3.8620 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0520 -1.4340 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5700 -1.3350 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5280 -2.4670 -2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9740 -3.6970 -2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4670 -3.7980 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5110 -2.6680 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3140 0.2910 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3760 1.1760 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1340 2.5300 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8170 3.0060 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9930 0.5920 0.1400 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 18 1 0
2 3 1 0
2 15 1 0
3 4 2 0
3 9 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
9 10 2 0
9 14 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
15 16 2 0
16 17 1 0
16 19 1 0
17 18 2 0
M END
> <ACTIVITY> (19)
6.06
$$$$
Midazolam
23 26 0 0 0 0 0 0 0 0999 V2000
0.2620 2.1660 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0430 0.7800 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1560 -0.2280 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2130 -0.1320 0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3760 1.0480 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5690 2.2260 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5720 2.7130 0.1090 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1160 3.8270 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3490 4.0670 -0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6370 3.0780 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4560 4.5920 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -1.4400 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4930 -2.6750 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4040 -3.8160 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8850 -3.7270 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4590 -2.4950 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5480 -1.3580 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1610 -0.1820 -2.4610 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2730 0.2840 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3510 1.1510 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1380 2.5150 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8370 3.0240 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9570 0.5310 0.0310 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
20 23 1 0
21 22 2 0
M END
> <ACTIVITY> (20)
8.32
$$$$
Nitrazepam
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1050 2.5210 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3450 1.1570 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2780 0.2710 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0430 0.7560 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2810 2.1390 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7940 3.0040 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 2.7460 0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6270 2.2650 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4060 1.0330 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 -0.1460 0.9310 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1590 -0.2460 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0390 -1.4590 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5290 -1.3630 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 -2.5060 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8600 -3.7400 -2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3820 -3.8360 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4770 -2.6970 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7090 2.8610 0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7210 0.6460 -0.0770 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.9040 -0.5750 0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6460 1.4540 -0.2830 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 2 0
19 21 1 0
M END
> <ACTIVITY> (21)
8
$$$$
Nordazepam
19 21 0 0 0 0 0 0 0 0999 V2000
-2.1080 2.5050 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3390 1.1450 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2730 0.2700 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0470 0.7560 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 2.1390 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8030 2.9980 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5390 2.7510 0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 2.2710 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4210 1.0360 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2510 -0.1420 0.9210 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1630 -0.2440 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0370 -1.4580 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5240 -1.3620 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4260 -2.5060 -2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8460 -3.7410 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3710 -3.8360 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4730 -2.6960 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7100 2.8700 0.8630 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9480 0.5360 -0.0530 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (22)
8.03
$$$$
Oxazepam
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1080 2.5060 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3420 1.1480 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2780 0.2710 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0420 0.7550 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2780 2.1370 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8020 2.9960 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 2.7430 0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 2.2640 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4100 1.0160 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2380 -0.1470 0.9430 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1570 -0.2450 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0370 -1.4540 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 -2.6940 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3810 -3.8300 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8600 -3.7300 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 -2.4940 -2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5290 -1.3540 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5070 0.8400 2.6920 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7140 2.8600 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9530 0.5430 -0.0420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
9 18 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (23)
7.74
$$$$
Pinazepam
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1460 2.4990 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3630 1.1420 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2840 0.2820 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 0.7830 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2760 2.1680 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8410 3.0050 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5940 2.7470 0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 2.2270 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 1.0790 1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1660 -0.1410 1.0200 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1320 -0.2310 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -1.4370 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5480 -1.3370 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4830 -2.4740 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 -3.7060 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4250 -3.8060 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 -2.6730 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 2.6730 0.8570 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 3.9520 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9070 5.1570 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9290 6.1370 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9670 0.5210 0.0510 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 22 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
20 21 3 0
M END
> <ACTIVITY> (24)
7.03
$$$$
Prazepam
23 26 0 0 0 0 0 0 0 0999 V2000
-2.1340 2.4980 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3530 1.1430 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2770 0.2820 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0410 0.7800 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2870 2.1630 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8270 2.9990 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5980 2.7410 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6360 2.2400 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3060 1.0640 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1690 -0.1390 0.9960 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1370 -0.2320 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -1.4420 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -1.3630 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 -2.5090 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8850 -3.7300 -2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 -3.8080 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5320 -2.6660 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7560 2.7580 0.9320 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8880 3.9680 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9140 5.1760 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 6.2990 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4170 6.5100 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9580 0.5270 0.0520 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 23 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
20 21 1 0
20 22 1 0
21 22 1 0
M END
> <ACTIVITY> (25)
6.96
$$$$
Premazepam
19 21 0 0 0 0 0 0 0 0999 V2000
0.3950 2.2060 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1500 0.8020 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1630 -0.2510 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.1400 0.9040 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3680 1.0380 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6430 2.3110 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5820 2.8620 0.2880 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7410 2.8780 0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0300 -1.4790 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5180 -1.4170 -1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4220 -2.5790 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8460 -3.8000 -2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3740 -3.8640 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4730 -2.7050 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2260 0.6470 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7570 1.8990 -0.3720 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 2.8450 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 2.1930 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0820 -0.5770 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 7 1 0
1 17 2 0
2 3 1 0
2 15 2 0
3 4 2 0
3 9 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 2 0
9 10 2 0
9 14 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
15 16 1 0
15 19 1 0
16 17 1 0
16 18 1 0
M END
> <ACTIVITY> (26)
6.77
$$$$
Ro05-2181
19 21 0 0 0 0 0 0 0 0999 V2000
-2.0710 2.5090 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.1650 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3130 0.2830 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 0.7070 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 2.0860 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7660 2.9610 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5040 2.7490 0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6560 2.3470 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8010 0.9350 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4730 -0.0160 0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -0.4010 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 -1.5840 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 -1.3940 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 -2.4660 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -3.7390 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 -3.9430 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3250 -2.8730 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5480 3.1840 1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9540 0.5780 -0.4020 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (27)
5
$$$$
Ro05-2750
20 22 0 0 0 0 0 0 0 0999 V2000
-2.0830 2.5310 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3810 1.2180 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3450 0.3200 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.7330 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 2.0930 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7620 2.9710 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5660 2.6690 0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6220 2.2260 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3650 1.0460 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1930 -0.1640 1.0060 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1160 -0.2690 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0320 -1.4550 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -1.3260 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 -2.4430 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9310 -3.6850 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4310 -3.8140 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -2.7010 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7110 2.8080 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8120 -1.2760 0.8430 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3580 3.6310 -0.6180 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
1 20 1 0
2 3 1 0
3 4 2 0
3 19 1 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (28)
7.43
$$$$
Ro05-2881
20 22 0 0 0 0 0 0 0 0999 V2000
-2.0710 2.5090 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.1650 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3130 0.2830 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 0.7070 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 2.0860 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7660 2.9610 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5040 2.7490 0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6560 2.3470 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8010 0.9350 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4730 -0.0160 0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -0.4010 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 -1.5840 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 -1.3940 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 -2.4660 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -3.7390 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 -3.9430 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3250 -2.8730 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5480 3.1840 1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5580 4.1760 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9540 0.5780 -0.4020 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (29)
5
$$$$
Ro05-2904
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1010 2.5080 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 1.1460 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 0.2780 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 0.7590 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2850 2.1390 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7930 2.9980 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5450 2.7490 0.2300 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6290 2.2680 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4100 1.0330 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2450 -0.1450 0.9290 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1630 -0.2440 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0400 -1.4570 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5280 -1.3610 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4310 -2.5050 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8520 -3.7400 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3770 -3.8350 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 -2.6960 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7100 2.8650 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7680 0.6060 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0070 -0.3980 0.7910 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.0670 0.0810 -1.3320 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.7330 1.5440 0.1370 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
19 21 1 0
19 22 1 0
M END
> <ACTIVITY> (30)
7.89
$$$$
Ro05-2921
18 20 0 0 0 0 0 0 0 0999 V2000
-2.1030 2.5140 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3450 1.1550 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2770 0.2800 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 0.7590 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1410 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7970 3.0020 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 2.7500 0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6260 2.2660 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4060 1.0320 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 -0.1470 0.9290 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1580 -0.2450 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0360 -1.4600 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 -1.3660 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 -2.5090 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8600 -3.7430 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3820 -3.8370 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 -2.6970 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7090 2.8610 0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (31)
6.46
$$$$
Ro05-3061
19 21 0 0 0 0 0 0 0 0999 V2000
-2.1030 2.5130 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3290 1.1560 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2740 0.2750 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 0.7570 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 2.1410 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7990 3.0040 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 2.7500 0.2310 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6250 2.2680 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4070 1.0320 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 -0.1460 0.9270 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1590 -0.2450 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0380 -1.4600 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 -1.3650 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 -2.5090 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8560 -3.7430 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3790 -3.8370 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 -2.6970 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7070 2.8630 0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5820 0.6840 -0.0860 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (32)
7.4
$$$$
Ro05-3072
19 21 0 0 0 0 0 0 0 0999 V2000
-2.0970 2.5040 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3600 1.1520 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2800 0.2840 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 0.7620 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2850 2.1410 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7900 2.9970 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5470 2.7480 0.2260 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6280 2.2650 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4060 1.0320 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2380 -0.1470 0.9310 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1560 -0.2440 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0340 -1.4580 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 -1.3630 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4380 -2.5060 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8630 -3.7390 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3830 -3.8340 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 -2.6950 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7110 2.8600 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6470 0.6610 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (33)
6.41
$$$$
Ro05-3308
22 24 0 0 0 0 0 0 0 0999 V2000
-2.0900 2.5120 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3520 1.1510 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2780 0.2800 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 0.7580 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2940 2.1340 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7800 2.9980 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5590 2.7300 0.2020 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 2.2710 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4400 1.0190 1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 -0.1440 0.9070 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1590 -0.2450 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0340 -1.4600 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5350 -1.3710 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4380 -2.5210 -2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8450 -3.7540 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3600 -3.8420 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4610 -2.6960 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6650 2.9390 0.9490 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7020 0.7450 -0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2020 -0.5380 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5580 -1.5620 0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7040 -0.5770 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
20 21 2 0
20 22 1 0
M END
> <ACTIVITY> (34)
5
$$$$
Ro05-3328
19 21 0 0 0 0 0 0 0 0999 V2000
-2.1060 2.5190 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3590 1.1710 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 0.2810 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0190 0.7420 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2750 2.1190 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7920 2.9890 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5440 2.7150 0.1910 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6290 2.2440 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4050 1.0320 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 -0.1570 0.9480 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1290 -0.2710 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9700 -1.5240 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2320 -2.3890 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3420 -3.4750 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3000 -2.8790 -2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0410 -2.0490 -3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8590 -0.9850 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7140 2.8330 0.8320 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9790 0.5900 -0.0030 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
12 17 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
M END
> <ACTIVITY> (35)
7.06
$$$$
Ro05-3343
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1000 2.4920 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 1.1230 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2620 0.2590 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0560 0.7570 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 2.1410 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7990 2.9940 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5390 2.7580 0.2480 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6280 2.2770 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4200 1.0340 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2600 -0.1390 0.9200 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1770 -0.2400 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0510 -1.4530 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5280 -1.3570 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4080 -2.5030 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8170 -3.7400 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 -3.8350 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4770 -2.6920 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7050 2.8820 0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0220 0.5720 -0.1990 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.4580 0.8720 -1.5530 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7440 1.1410 0.9280 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0640 -1.1110 -0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2250 -1.9430 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6590 -1.6960 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 2 0
19 21 2 0
19 22 1 0
22 23 1 0
22 24 1 0
M END
> <ACTIVITY> (36)
5
$$$$
Ro05-3395
18 20 0 0 0 0 0 0 0 0999 V2000
-2.0710 2.5090 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.1650 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3130 0.2830 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 0.7070 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 2.0860 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7660 2.9610 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5040 2.7490 0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6560 2.3470 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8010 0.9350 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4730 -0.0160 0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -0.4010 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 -1.5840 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 -1.3940 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 -2.4660 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -3.7390 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 -3.9430 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3250 -2.8730 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5480 3.1840 1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (37)
5
$$$$
Ro05-3546
19 21 0 0 0 0 0 0 0 0999 V2000
-2.0860 2.5360 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3780 1.2210 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3440 0.3190 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.7320 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 2.0910 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7620 2.9690 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5650 2.6690 0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6210 2.2260 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3640 1.0470 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1950 -0.1650 1.0060 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1160 -0.2700 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0320 -1.4560 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -1.3260 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4940 -2.4430 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9320 -3.6850 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4310 -3.8140 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -2.7020 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7100 2.8090 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8130 -1.2750 0.8450 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
3 19 1 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (38)
6.49
$$$$
Ro05-3590
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1040 2.5020 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3410 1.1370 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2740 0.2560 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 0.7460 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2810 2.1290 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7960 2.9890 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 2.7430 0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 2.2730 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4260 1.0460 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2530 -0.1410 0.9400 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1630 -0.2530 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0410 -1.4820 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4780 -2.7010 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3550 -3.8810 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7850 -3.8530 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3390 -2.6440 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4640 -1.4380 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0200 -0.1540 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2550 0.2370 -2.0600 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.1430 -0.2340 -3.8580 F 0 0 0 0 0 0 0 0 0 0 0 0
0.8130 0.9110 -2.2940 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7100 2.8750 0.8560 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7150 0.6210 -0.1240 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.9030 -0.5860 0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6310 1.4110 -0.4200 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 23 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 22 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 1 0
18 20 1 0
18 21 1 0
23 24 2 0
23 25 1 0
M END
> <ACTIVITY> (39)
8.46
$$$$
Ro05-3636
22 24 0 0 0 0 0 0 0 0999 V2000
-2.0710 2.5090 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.1650 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3130 0.2830 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 0.7070 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 2.0860 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7660 2.9610 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5040 2.7490 0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6560 2.3470 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8010 0.9350 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4730 -0.0160 0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -0.4010 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 -1.5840 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 -1.3940 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 -2.4660 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -3.7390 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 -3.9430 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3250 -2.8730 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0150 -0.1710 -2.1570 F 0 0 0 0 0 0 0 0 0 0 0 0
3.2670 -1.2260 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5480 3.1840 1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5580 4.1760 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9540 0.5780 -0.4020 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 22 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 21 1 0
8 9 1 0
8 20 2 0
9 10 1 0
10 11 1 0
10 19 1 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
13 18 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (40)
5
$$$$
Ro05-3663
13 14 0 0 0 0 0 0 0 0999 V2000
-2.0870 2.5810 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3350 1.2270 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 0.3570 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0420 0.8390 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 2.2140 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7820 3.0700 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5470 2.8170 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6120 2.3810 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 1.1550 1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2250 -0.0400 1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1480 -0.1560 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0080 -1.4300 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6470 3.0480 1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 13 2 0
9 10 1 0
10 11 2 0
11 12 1 0
M END
> <ACTIVITY> (41)
5
$$$$
Ro05-4318
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1300 2.4960 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3770 1.1470 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 0.2930 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 0.7810 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2870 2.1610 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8220 2.9980 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5990 2.7400 0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6370 2.2350 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2980 1.0700 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1790 -0.1430 0.9980 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1350 -0.2350 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0370 -1.4450 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5410 -1.3500 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4760 -2.4890 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 -3.7200 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4180 -3.8160 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4870 -2.6800 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7760 2.7200 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8460 3.9780 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6640 0.6480 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (42)
6.34
$$$$
Ro05-4336
19 21 0 0 0 0 0 0 0 0999 V2000
-2.1010 2.4910 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3350 1.1290 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2630 0.2610 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0550 0.7490 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1340 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8000 2.9880 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 2.7530 0.2430 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 2.2760 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4270 1.0340 1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2650 -0.1400 0.9190 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 -0.2480 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0440 -1.4580 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 -2.7070 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3270 -3.8370 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 -3.7230 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3450 -2.4790 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4810 -1.3530 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0870 -0.1650 -2.3860 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7060 2.8830 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (43)
7.68
$$$$
Ro05-4435
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1030 2.5020 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3370 1.1350 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 0.2550 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0510 0.7470 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1320 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7970 2.9910 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5390 2.7480 0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 2.2740 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 1.0360 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2610 -0.1400 0.9230 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1710 -0.2500 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.4590 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4670 -2.7080 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3360 -3.8370 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7810 -3.7220 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3540 -2.4790 -2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4840 -1.3530 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0890 -0.1660 -2.3860 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7060 2.8800 0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7100 0.6150 -0.1300 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.8880 -0.6060 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6360 1.4190 -0.3500 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
20 21 2 0
20 22 1 0
M END
> <ACTIVITY> (44)
8.82
$$$$
Ro05-4520
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1320 2.4830 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3530 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 0.2690 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0500 0.7690 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2870 2.1550 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8300 2.9900 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5940 2.7450 0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 2.2450 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3180 1.0730 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2070 -0.1370 0.9890 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1530 -0.2400 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0470 -1.4470 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4230 -2.7040 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3090 -3.8320 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8190 -3.7090 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -2.4590 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -1.3350 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2020 -0.1420 -2.4320 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7760 2.7400 0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8280 3.9900 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (45)
7.85
$$$$
Ro05-4528
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1340 2.5050 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3680 1.1460 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2820 0.2840 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0390 0.7780 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2850 2.1610 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8260 3.0030 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5960 2.7400 0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6370 2.2370 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3010 1.0710 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1830 -0.1420 0.9970 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1390 -0.2360 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -1.4460 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5430 -1.3510 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4710 -2.4910 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9030 -3.7230 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4140 -3.8180 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4890 -2.6810 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7750 2.7240 0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8420 3.9790 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7090 0.6350 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7970 0.2200 0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
20 21 3 0
M END
> <ACTIVITY> (46)
6.42
$$$$
Ro05-4619
20 22 0 0 0 0 0 0 0 0999 V2000
-2.0940 2.4570 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3420 1.1000 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 0.2460 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0610 0.7400 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 2.1230 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 2.9660 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 2.7510 0.2410 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6340 2.2860 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4440 1.0460 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2840 -0.1320 0.9240 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1830 -0.2510 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0520 -1.4700 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5040 -2.6880 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3870 -3.8580 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8190 -3.8160 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3680 -2.6030 -2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4810 -1.4260 -1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0520 0.0470 -2.5980 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7040 2.9020 0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6190 0.5930 -0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (47)
7.12
$$$$
Ro05-4865
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1350 2.5070 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3480 1.1530 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2800 0.2840 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 0.7760 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1620 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8290 3.0070 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5930 2.7410 0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6350 2.2360 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2990 1.0700 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 -0.1420 0.9960 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1370 -0.2370 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0400 -1.4470 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 -1.3530 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4720 -2.4940 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9050 -3.7250 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4150 -3.8190 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -2.6820 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7730 2.7230 0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8390 3.9800 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5990 0.6740 0.0470 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (48)
7.77
$$$$
Ro05-6820
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1020 2.4920 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3210 1.1320 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2620 0.2560 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0530 0.7470 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 2.1340 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8020 2.9910 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5360 2.7530 0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6280 2.2760 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4260 1.0340 1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2640 -0.1400 0.9180 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 -0.2490 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0440 -1.4580 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4650 -2.7070 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3310 -3.8370 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7760 -3.7230 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3500 -2.4790 -2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4830 -1.3530 -1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0890 -0.1660 -2.3880 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7040 2.8830 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5690 0.6520 -0.1420 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (49)
8.13
$$$$
Ro05-6822
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1330 2.4850 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3380 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2660 0.2650 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 0.7670 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2850 2.1550 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 2.9930 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5920 2.7450 0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 2.2460 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3180 1.0730 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2050 -0.1360 0.9890 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1530 -0.2410 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0470 -1.4470 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4240 -2.7030 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3130 -3.8310 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 -3.7090 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4440 -2.4600 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5540 -1.3350 -1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2050 -0.1430 -2.4330 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7740 2.7410 0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8270 3.9890 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5860 0.6390 -0.0110 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (50)
8.29
$$$$
Ro05-7094
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1470 2.5170 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3710 1.1570 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2970 0.2860 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0220 0.7790 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2750 2.1630 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8380 3.0120 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6030 2.7150 0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6030 2.2330 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2270 1.0850 1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1380 -0.1360 1.0300 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1190 -0.2330 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.4380 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5590 -1.3430 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5090 -2.4800 -2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 -3.7090 -2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4500 -3.8050 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5020 -2.6720 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7430 2.7140 0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9730 3.8790 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1530 4.0190 -2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0400 5.1880 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5240 5.2940 1.1490 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6850 6.2820 -0.4780 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4250 6.4050 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9800 0.5490 0.1110 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 25 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
19 21 1 0
21 22 2 0
21 23 1 0
23 24 1 0
M END
> <ACTIVITY> (51)
5
$$$$
Ro05-9090
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1330 2.5050 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3780 1.1460 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2830 0.2890 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0390 0.7800 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 2.1610 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8250 3.0030 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 2.7410 0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6370 2.2360 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3000 1.0700 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1830 -0.1420 0.9960 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1380 -0.2360 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0400 -1.4460 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 -1.3520 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4730 -2.4920 -2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9070 -3.7230 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4160 -3.8180 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -2.6820 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7760 2.7220 0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8430 3.9790 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7850 0.6060 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2170 0.2750 -1.3160 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
20 21 1 0
M END
> <ACTIVITY> (52)
5
$$$$
Ro06-7263
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1420 2.5060 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3620 1.1470 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 0.2830 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0320 0.7790 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 2.1620 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8350 3.0060 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5860 2.7360 0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6550 2.2340 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.0690 1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1750 -0.1370 0.9960 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1320 -0.2330 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0390 -1.4430 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4890 -2.6770 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4190 -3.8150 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9100 -3.7220 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4750 -2.4920 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 -1.3510 -1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4290 0.8110 2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7980 2.7100 0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9020 4.1940 -0.7270 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.9680 0.5310 0.0240 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
9 18 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (53)
7.31
$$$$
Ro06-9098
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1450 2.5110 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3690 1.1490 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2870 0.2800 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0320 0.7780 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 2.1620 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8340 3.0050 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5980 2.7360 0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 2.2330 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2810 1.0770 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1710 -0.1400 1.0080 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1330 -0.2350 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -1.4420 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -1.3450 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4820 -2.4830 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9170 -3.7150 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4250 -3.8120 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 -2.6780 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7740 2.7050 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8770 3.9540 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9030 5.0590 0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2470 6.2640 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7410 0.6280 0.0830 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.9060 -0.5900 0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6810 1.4250 -0.0990 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 22 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
20 21 1 0
22 23 2 0
22 24 1 0
M END
> <ACTIVITY> (54)
6.37
$$$$
Ro07-1986
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1480 2.4780 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3550 1.1180 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 0.2680 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 0.7800 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2770 2.1700 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8470 2.9950 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5880 2.7640 0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6440 2.2300 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3040 1.0840 1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 -0.1350 1.0190 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1450 -0.2320 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0460 -1.4350 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4120 -2.6940 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3060 -3.8190 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8320 -3.6910 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4620 -2.4380 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5670 -1.3160 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2290 -0.1210 -2.4290 F 0 0 0 0 0 0 0 0 0 0 0 0
3.8020 2.6620 0.8120 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8690 3.9750 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8730 5.2510 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1110 6.4600 -0.6030 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9530 0.4820 -0.0080 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 23 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
20 21 1 0
21 22 1 0
M END
> <ACTIVITY> (55)
8.08
$$$$
Ro07-2750
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1470 2.4780 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3540 1.1180 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 0.2680 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 0.7800 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2780 2.1700 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8470 2.9950 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5880 2.7640 0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6450 2.2310 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3070 1.0830 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1920 -0.1340 1.0160 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1460 -0.2320 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0460 -1.4360 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4140 -2.6950 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3070 -3.8200 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8310 -3.6930 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4590 -2.4400 -2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5640 -1.3180 -1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2240 -0.1230 -2.4280 F 0 0 0 0 0 0 0 0 0 0 0 0
3.8010 2.6650 0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8650 3.9800 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8740 5.2500 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0950 6.3960 -0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9520 0.4820 -0.0100 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 23 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
20 21 1 0
21 22 1 0
M END
> <ACTIVITY> (56)
7.61
$$$$
Ro07-3953
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1070 2.4870 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3310 1.1250 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2620 0.2550 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0550 0.7490 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 2.1350 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8060 2.9880 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5360 2.7550 0.2420 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6370 2.2820 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4470 1.0390 1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2750 -0.1350 0.9080 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1770 -0.2450 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0410 -1.4530 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5200 -1.3520 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4010 -2.4800 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8110 -3.7250 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 -3.8330 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4560 -2.6990 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9460 -2.8400 1.0870 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1350 -0.1650 -2.4060 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7100 2.8910 0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9360 0.5070 -0.0980 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 20 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
13 19 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (57)
8.8
$$$$
Ro07-4065
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1320 2.4860 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3470 1.1270 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 0.2670 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 0.7700 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2870 2.1560 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8290 2.9930 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 2.7460 0.1090 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6450 2.2470 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3240 1.0750 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2080 -0.1350 0.9870 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1530 -0.2370 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0460 -1.4420 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 -1.3400 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4420 -2.4640 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8650 -3.7060 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3820 -3.8160 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4730 -2.6860 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 -2.8300 1.0880 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.1550 -2.4070 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7790 2.7420 0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 3.9880 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9500 0.5020 0.0030 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 22 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 21 1 0
8 9 1 0
8 20 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
13 19 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (58)
8.39
$$$$
Ro07-4419
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1010 2.4900 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3350 1.1290 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2630 0.2600 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0550 0.7490 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1340 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8000 2.9880 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 2.7530 0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 2.2760 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 1.0340 1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2650 -0.1410 0.9170 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1740 -0.2470 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.4550 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 -1.3550 -1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4140 -2.4830 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8280 -3.7260 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 -3.8340 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 -2.6990 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -2.8370 1.0850 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1410 -0.1680 -2.4110 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7050 2.8830 0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 20 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
13 19 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (59)
7.72
$$$$
Ro07-4532
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1360 2.5060 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3560 1.1450 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2780 0.2810 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0430 0.7770 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2870 2.1590 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8300 3.0040 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5900 2.7480 0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6610 2.2580 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4600 1.0190 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1700 -0.1520 0.9740 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1310 -0.2340 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0270 -1.4540 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5240 -1.3720 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4460 -2.5200 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8770 -3.7480 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3930 -3.8300 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 -2.6850 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8140 0.6790 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4530 1.2200 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7600 2.8350 0.8650 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8050 4.0110 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9600 0.5260 -0.0180 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 22 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 21 1 0
8 9 1 0
8 20 2 0
9 10 1 0
9 18 1 0
9 19 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (60)
5
$$$$
Ro07-5096
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1390 2.4810 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3510 1.1220 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2690 0.2670 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0460 0.7730 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1610 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8370 2.9930 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5910 2.7490 0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6430 2.2410 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3190 1.0780 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2020 -0.1340 0.9970 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1500 -0.2360 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0440 -1.4420 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4200 -2.6990 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3080 -3.8260 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8200 -3.7020 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 -2.4510 -2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -1.3270 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2040 -0.1340 -2.4280 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7820 2.7240 0.8530 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8640 3.9890 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9040 5.2590 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7300 5.2970 1.4310 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1590 6.3920 -0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9510 0.4920 0.0010 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 24 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
20 21 1 0
21 22 2 0
21 23 1 0
M END
> <ACTIVITY> (61)
5
$$$$
Ro07-6198
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0980 2.4890 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 1.1280 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2640 0.2590 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0540 0.7490 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2810 2.1350 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8000 2.9920 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 2.7520 0.2420 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 2.2750 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4270 1.0340 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2640 -0.1400 0.9190 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 -0.2470 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.4550 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 -1.3540 -1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4150 -2.4820 -2.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8290 -3.7250 -2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3550 -3.8330 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 -2.6990 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 -2.8390 1.0850 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1400 -0.1680 -2.4100 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7060 2.8810 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4160 3.5590 -0.5120 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
1 21 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 20 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
13 19 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (62)
7.55
$$$$
Ro08-6739
18 20 0 0 0 0 0 0 0 0999 V2000
0.1720 1.9530 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0710 0.5770 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2180 -0.3310 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3400 -0.1200 0.7490 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4830 1.0180 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4610 2.3580 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2550 2.7800 0.4360 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4590 3.0850 0.8680 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0950 -1.5580 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5840 -1.4980 -2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 -2.6600 -2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9200 -3.8800 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4450 -3.9420 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 -2.7820 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3210 0.2010 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1460 1.2950 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3110 2.7640 0.1250 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.8590 1.2870 -0.0210 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 17 1 0
2 3 1 0
2 15 1 0
3 4 2 0
3 9 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 2 0
9 10 2 0
9 14 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
15 16 2 0
16 17 1 0
16 18 1 0
M END
> <ACTIVITY> (63)
7.15
$$$$
Ro08-9212
19 21 0 0 0 0 0 0 0 0999 V2000
0.1750 1.9300 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0980 0.5540 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2580 -0.3360 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3970 -0.1020 0.7270 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5370 1.0340 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4670 2.3790 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2410 2.7780 0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4440 3.1320 0.8550 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 -1.5640 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6970 -2.7470 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5770 -3.9250 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8790 -3.9230 -2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3000 -2.7440 -2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4140 -1.5590 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2880 -0.1240 -2.5130 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2830 0.1560 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1270 1.2370 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3190 2.7180 0.1380 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.8350 1.2020 -0.1170 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 18 1 0
2 3 1 0
2 16 1 0
3 4 2 0
3 9 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 2 0
9 10 2 0
9 14 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
16 17 2 0
17 18 1 0
17 19 1 0
M END
> <ACTIVITY> (64)
8.41
$$$$
Ro10-2643
19 21 0 0 0 0 0 0 0 0999 V2000
0.3460 2.2030 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1820 0.8260 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2000 -0.2130 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2830 -0.1210 0.8710 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4450 1.0350 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 2.3370 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5370 2.8660 0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7120 2.9480 0.9980 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0360 -1.4480 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4090 -2.6700 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2610 -3.8510 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7410 -3.8140 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3670 -2.5950 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5120 -1.4060 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0650 0.0740 -2.7080 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4610 0.4110 -0.2420 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.9010 2.0310 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 2.8980 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5270 2.4420 -0.7700 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 18 1 0
2 3 1 0
2 16 1 0
3 4 2 0
3 9 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 2 0
9 10 2 0
9 14 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
16 17 1 0
17 18 2 0
17 19 1 0
M END
> <ACTIVITY> (65)
8.03
$$$$
Ro10-3580
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1470 2.4680 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3500 1.1100 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2630 0.2660 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0500 0.7820 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 2.1740 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8490 2.9900 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5860 2.7770 0.1430 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6560 2.2260 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3240 1.0820 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -0.1370 1.0110 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 -0.2320 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0440 -1.4370 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4110 -2.6960 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2980 -3.8220 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8180 -3.6970 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4470 -2.4450 -2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5580 -1.3210 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2190 -0.1270 -2.4240 F 0 0 0 0 0 0 0 0 0 0 0 0
3.8190 2.6390 0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8370 4.0560 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 5.2790 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9960 5.2220 1.2790 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9250 6.5930 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1310 6.6420 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9460 0.4670 -0.0270 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 25 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
20 21 1 0
21 22 1 0
21 23 1 0
23 24 1 0
M END
> <ACTIVITY> (66)
6.85
$$$$
Ro11-1465
22 25 0 0 0 0 0 0 0 0999 V2000
0.0870 1.9920 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0600 0.6020 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2340 -0.2810 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3570 -0.0480 0.7650 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4980 1.0960 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3960 2.3940 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2210 2.8030 0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4910 4.1170 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 4.4290 0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2990 3.3520 0.9110 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5830 5.0220 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1170 -1.5150 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6840 -2.6960 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5860 -3.8780 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9250 -3.8830 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3610 -2.7070 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4540 -1.5180 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 -0.0870 -2.5590 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3100 0.1470 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 1.1870 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4530 2.6980 0.0940 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.9080 1.0770 -0.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
20 22 1 0
M END
> <ACTIVITY> (67)
8.85
$$$$
Ro11-4878
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1070 2.5040 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3390 1.1440 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2740 0.2670 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 0.7540 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 2.1360 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8010 2.9960 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 2.7450 0.2310 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6370 2.2720 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4260 1.0280 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2480 -0.1440 0.9200 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1620 -0.2440 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0370 -1.4540 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4730 -2.6920 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3690 -3.8330 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8420 -3.7390 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4230 -2.5040 -2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 -1.3680 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1450 -0.1880 -2.4530 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6400 0.7610 2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7070 2.8870 0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9480 0.5370 -0.0620 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 20 2 0
9 10 1 0
9 19 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (68)
8.46
$$$$
Ro11-5073
24 27 0 0 0 0 0 0 0 0999 V2000
0.2620 2.1670 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 0.7810 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1550 -0.2290 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2130 -0.1360 0.9630 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3920 1.0480 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5800 2.2430 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5660 2.7190 0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1110 3.8420 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3410 4.0290 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6360 3.0300 0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 4.6500 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6090 0.7950 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0470 -1.4410 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4900 -2.6760 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3990 -3.8170 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8800 -3.7270 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4550 -2.4950 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5440 -1.3590 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1580 -0.1820 -2.4600 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2720 0.2830 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3510 1.1480 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1400 2.5120 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 3.0230 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9550 0.5240 0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 23 1 0
2 3 1 0
2 20 1 0
3 4 2 0
3 13 1 0
4 5 1 0
5 6 1 0
5 12 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
20 21 2 0
21 22 1 0
21 24 1 0
22 23 2 0
M END
> <ACTIVITY> (69)
8.48
$$$$
Ro11-6679
26 29 0 0 0 0 0 0 0 0999 V2000
0.2620 2.1650 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0400 0.7780 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1520 -0.2320 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2070 -0.1400 0.9680 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 1.0460 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5790 2.2390 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5690 2.7130 0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1180 3.8320 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3470 4.0180 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6360 3.0220 0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4870 4.6370 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6000 0.7930 2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0480 -1.4440 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4930 -2.6780 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4080 -3.8180 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 -3.7280 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4640 -2.4960 -2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5480 -1.3610 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1580 -0.1840 -2.4590 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2770 0.2820 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3600 1.1550 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1410 2.5250 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8350 3.0260 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7320 0.6300 0.0280 N 0 3 0 0 0 0 0 0 0 0 0 0
-4.6740 1.4350 -0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8930 -0.5970 0.1610 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 23 1 0
2 3 1 0
2 20 1 0
3 4 2 0
3 13 1 0
4 5 1 0
5 6 1 0
5 12 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
20 21 2 0
21 22 1 0
21 24 1 0
22 23 2 0
24 25 2 0
24 26 1 0
M END
> <ACTIVITY> (70)
8.4
$$$$
Ro11-6896
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1360 2.5180 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3650 1.1550 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2880 0.2790 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 0.7740 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 2.1570 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8240 3.0070 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5980 2.7290 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6410 2.2350 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2970 1.0630 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1720 -0.1440 1.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1340 -0.2360 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -1.4420 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4910 -2.6770 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4190 -3.8130 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9090 -3.7180 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4760 -2.4870 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5480 -1.3560 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1530 -0.1800 -2.4580 F 0 0 0 0 0 0 0 0 0 0 0 0
3.4110 0.8090 2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 2.7390 0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8460 3.9590 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7400 0.6380 0.0530 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.9060 -0.5930 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6780 1.4530 -0.0220 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 22 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 21 1 0
8 9 1 0
8 20 2 0
9 10 1 0
9 19 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
22 23 2 0
22 24 1 0
M END
> <ACTIVITY> (71)
8.15
$$$$
Ro11-7800
23 26 0 0 0 0 0 0 0 0999 V2000
0.0880 1.9920 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0590 0.6020 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2330 -0.2820 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3530 -0.0500 0.7700 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4890 1.0950 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 2.3920 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2250 2.8020 0.3320 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5030 4.1130 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7420 4.4230 0.2980 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2990 3.3480 0.9210 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5850 5.0030 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2120 6.2930 -1.1720 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1180 -1.5160 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6810 -2.6970 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5840 -3.8790 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9270 -3.8840 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3660 -2.7060 -2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4580 -1.5180 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2160 -0.0850 -2.5650 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3110 0.1480 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 1.1890 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4510 2.7000 0.0950 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.9080 1.0810 -0.0410 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 20 1 0
3 4 2 0
3 13 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
11 12 1 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
20 21 2 0
21 22 1 0
21 23 1 0
M END
> <ACTIVITY> (72)
8.54
$$$$
Ro11-8125
18 20 0 0 0 0 0 0 0 0999 V2000
0.2680 2.0160 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1270 0.6460 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2420 -0.3010 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3620 -0.1180 0.7860 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5120 1.0220 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5450 2.3590 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3660 2.8120 0.4340 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5610 3.0620 0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0800 -1.5320 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5760 -2.7360 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4330 -3.9160 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7950 -3.8960 -2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3000 -2.6950 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -1.5080 -1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1590 -0.0490 -2.5850 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2630 0.3170 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0720 1.4290 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1710 2.8750 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 18 1 0
2 3 1 0
2 16 1 0
3 4 2 0
3 9 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 2 0
9 10 2 0
9 14 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (73)
7.43
$$$$
Ro12-6377
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1330 2.4770 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3690 1.1190 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 0.2730 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0500 0.7710 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2910 2.1530 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8250 2.9830 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 2.7430 0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6440 2.2450 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 1.0740 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2050 -0.1360 0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1520 -0.2390 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0460 -1.4450 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4230 -2.7020 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3090 -3.8290 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8190 -3.7060 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -2.4550 -2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -1.3310 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2020 -0.1390 -2.4300 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7780 2.7400 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 3.9860 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6480 0.5260 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1380 -0.7420 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4750 -1.7620 0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5020 -0.7610 0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.3980 -1.8930 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 1 0
M END
> <ACTIVITY> (74)
6.34
$$$$
Ro13-0593
21 23 0 0 0 0 0 0 0 0999 V2000
-2.5720 1.8250 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5670 0.4390 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3550 -0.2370 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1360 0.4660 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1140 1.8800 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3670 2.5420 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5460 4.2680 0.1700 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.1310 2.5990 0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2450 2.2800 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1030 1.0910 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1440 -0.1240 0.9600 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1090 -0.3670 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1670 -1.5560 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7280 -2.7550 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7680 -3.8700 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2470 -3.7940 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6830 -2.6020 -2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6430 -1.4900 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1190 -0.3510 -2.4460 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3030 2.9210 0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2780 3.7010 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 12 1 0
5 6 2 0
5 8 1 0
6 7 1 0
8 9 1 0
8 21 1 0
9 10 1 0
9 20 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
M END
> <ACTIVITY> (75)
7.14
$$$$
Ro13-0699
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1260 2.5210 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3960 1.2010 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3450 0.3120 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0050 0.7440 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2780 2.1070 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8050 2.9690 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6050 2.6590 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6230 2.2120 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2700 1.0880 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1530 -0.1470 1.0690 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1060 -0.2590 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.4350 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4650 -2.6980 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 -3.7970 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8960 -3.6430 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4700 -2.3900 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 -1.2940 -1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1490 -0.0980 -2.3650 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7560 2.7090 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8860 3.8330 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7870 -1.2920 0.8520 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
3 21 1 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (76)
6.82
$$$$
Ro13-0882
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1230 2.5180 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4000 1.2000 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 0.3140 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0060 0.7450 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2770 2.1080 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8050 2.9710 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6060 2.6590 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6230 2.2110 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 1.0880 1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1520 -0.1470 1.0690 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1050 -0.2590 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.4350 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4650 -2.6970 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3920 -3.7960 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8970 -3.6430 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4720 -2.3900 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5430 -1.2940 -1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1500 -0.0980 -2.3650 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7570 2.7090 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8900 3.8300 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7870 -1.2930 0.8490 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.4190 3.6130 -0.4880 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
1 22 1 0
2 3 1 0
3 4 2 0
3 21 1 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (77)
6.52
$$$$
Ro13-9868
22 25 0 0 0 0 0 0 0 0999 V2000
0.2440 2.2060 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0530 0.8020 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -0.2410 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2290 -0.1070 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5430 1.0890 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5950 2.3430 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5350 2.8010 0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0170 3.9760 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2370 4.2160 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5990 3.1960 0.9010 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3360 4.7850 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -1.4850 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 -1.4330 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 -2.5920 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 -3.8130 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3980 -3.8770 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4850 -2.7200 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2720 0.3140 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3640 1.1750 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1690 2.5460 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8730 3.0600 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9600 0.5340 -0.0660 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
18 19 2 0
19 20 1 0
19 22 1 0
20 21 2 0
M END
> <ACTIVITY> (78)
7.38
$$$$
Ro14-0304
23 26 0 0 0 0 0 0 0 0999 V2000
0.2440 2.2040 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 0.8010 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1260 -0.2420 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2300 -0.1060 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5450 1.0920 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5960 2.3430 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5350 2.8000 0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0180 3.9720 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2380 4.2130 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6010 3.1950 0.8940 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 4.7770 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0610 -1.4850 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4770 -2.7000 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4390 -3.8790 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9890 -3.8570 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5780 -2.6550 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6180 -1.4820 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2320 -0.3370 -2.5780 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2740 0.3130 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3650 1.1750 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1690 2.5460 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8720 3.0590 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9610 0.5340 -0.0650 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
20 23 1 0
21 22 2 0
M END
> <ACTIVITY> (79)
8.19
$$$$
Ro14-0609
23 26 0 0 0 0 0 0 0 0999 V2000
0.2620 2.0520 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 0.7060 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9790 -0.4250 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4390 -0.1150 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5790 1.1520 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5990 2.3050 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5670 2.6230 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0910 3.6640 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2760 4.0080 -0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5950 3.1560 0.7340 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4860 4.2350 -1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9730 -1.4950 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4500 -2.7880 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4460 -3.7700 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9690 -3.4740 -2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 -2.1950 -2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5040 -1.2200 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0560 0.0070 -2.0720 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.3790 0.2980 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4170 1.1700 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1360 2.4840 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8100 2.9210 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0450 0.6150 0.0240 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 19 1 0
3 4 1 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
20 23 1 0
21 22 2 0
M END
> <ACTIVITY> (80)
7.61
$$$$
Ro14-1359
20 22 0 0 0 0 0 0 0 0999 V2000
0.2640 2.1610 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0470 0.7640 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1260 -0.2680 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2660 -0.1060 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5590 1.0630 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6580 2.3240 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 2.7920 0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7120 2.9660 0.8200 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0510 -1.5040 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5330 -2.7120 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4830 -3.8830 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9560 -3.8570 -2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 -2.6610 -2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5290 -1.4970 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0760 -0.3560 -2.5060 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2820 0.2970 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3530 1.1800 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1280 2.5470 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8240 3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9580 0.5690 -0.1390 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 19 1 0
2 3 1 0
2 16 1 0
3 4 2 0
3 9 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 2 0
9 10 2 0
9 14 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
16 17 2 0
17 18 1 0
17 20 1 0
18 19 2 0
M END
> <ACTIVITY> (81)
7.15
$$$$
Ro14-2312
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1140 2.4920 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3830 1.1740 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3420 0.2900 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0050 0.7470 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 2.1090 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8030 2.9610 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6070 2.6630 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6260 2.2150 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2800 1.0880 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1650 -0.1460 1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1100 -0.2550 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0350 -1.4290 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4540 -2.6940 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3520 -3.7950 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8300 -3.6400 -2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4070 -2.3840 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5070 -1.2860 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1150 -0.0880 -2.3420 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7590 2.7160 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8890 3.8340 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6770 -1.0210 0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4160 3.5650 -0.5860 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
1 22 1 0
2 3 1 0
3 4 2 0
3 21 1 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (82)
5
$$$$
Ro14-2652
24 27 0 0 0 0 0 0 0 0999 V2000
0.2450 2.2020 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0500 0.7990 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1230 -0.2440 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2230 -0.1070 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5310 1.0930 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5900 2.3430 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5390 2.7930 0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0320 3.9530 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2410 4.2050 0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5920 3.1980 0.9090 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3360 4.7230 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1550 5.8360 -2.0030 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0610 -1.4870 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4730 -2.7020 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4370 -3.8810 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9940 -3.8590 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5880 -2.6570 -2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6250 -1.4840 -1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2430 -0.3380 -2.5830 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 0.3140 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3660 1.1790 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1670 2.5500 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8690 3.0600 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9640 0.5420 -0.0550 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 23 1 0
2 3 1 0
2 20 1 0
3 4 2 0
3 13 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
11 12 1 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
20 21 2 0
21 22 1 0
21 24 1 0
22 23 2 0
M END
> <ACTIVITY> (83)
8.25
$$$$
Ro14-3074
22 24 0 0 0 0 0 0 0 0999 V2000
-2.0850 2.5210 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3660 1.1650 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 0.2910 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0430 0.7640 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2960 2.1380 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7740 3.0050 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5640 2.7260 0.1930 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6290 2.2650 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 1.0170 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2230 -0.1500 0.9160 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1480 -0.2430 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 -1.4570 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4730 -2.6900 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3870 -3.8380 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -3.7590 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -2.5300 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5260 -1.3870 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1310 -0.2200 -2.4870 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6700 2.9230 0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7240 0.7930 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9770 -0.4150 0.1070 N 0 3 0 0 0 0 0 0 0 0 0 0
-4.2200 -1.5220 0.2380 N 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
20 21 2 0
21 22 2 0
M END
> <ACTIVITY> (84)
8.28
$$$$
Ro14-3930
25 28 0 0 0 0 0 0 0 0999 V2000
0.2370 2.2080 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0560 0.8020 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1350 -0.2380 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2600 -0.0980 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5770 1.0930 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 2.3370 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5200 2.8250 0.2520 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 4.0690 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1410 4.3600 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6520 3.2620 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0580 3.2110 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8560 4.1260 0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4680 2.0570 1.7100 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0600 -1.4810 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5030 -2.6930 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 -3.8710 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9680 -3.8500 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5290 -2.6520 -2.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5780 -1.4800 -1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1640 -0.3370 -2.5470 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2670 0.3080 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3630 1.1620 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1750 2.5340 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8830 3.0560 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9530 0.5100 -0.1080 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 24 1 0
2 3 1 0
2 21 1 0
3 4 2 0
3 14 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
14 15 2 0
14 19 1 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
21 22 2 0
22 23 1 0
22 25 1 0
23 24 2 0
M END
> <ACTIVITY> (85)
7.82
$$$$
Ro14-5568
22 25 0 0 0 0 0 0 0 0999 V2000
0.2360 2.2080 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0590 0.8030 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 -0.2330 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -0.0960 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6280 1.0830 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6180 2.3560 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5120 2.8280 0.2650 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8840 4.0720 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1300 4.3840 0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5950 3.3180 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0590 -1.4780 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5120 -2.6880 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4570 -3.8660 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9540 -3.8480 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5060 -2.6510 -2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5620 -1.4780 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1380 -0.3370 -2.5380 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2620 0.3050 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3600 1.1560 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1750 2.5270 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8850 3.0520 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9480 0.4990 -0.1140 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 2 0
3 11 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
18 19 2 0
19 20 1 0
19 22 1 0
20 21 2 0
M END
> <ACTIVITY> (86)
6.64
$$$$
Ro14-5921
22 25 0 0 0 0 0 0 0 0999 V2000
0.2340 2.2100 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0610 0.8040 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1440 -0.2320 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2850 -0.0980 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6500 1.0820 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6230 2.3630 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5040 2.8330 0.2850 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8800 4.0860 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1290 4.3370 0.1830 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5990 3.2510 0.8670 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0570 -1.4780 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5130 -2.6870 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4520 -3.8670 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9400 -3.8510 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4890 -2.6540 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -1.4810 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1240 -0.3390 -2.5340 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2600 0.3050 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3590 1.1540 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1770 2.5250 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8880 3.0530 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9470 0.4940 -0.1270 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 2 0
3 11 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
18 19 2 0
19 20 1 0
19 22 1 0
20 21 2 0
M END
> <ACTIVITY> (87)
7.72
$$$$
Ro14-5974
23 26 0 0 0 0 0 0 0 0999 V2000
0.2690 2.1210 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 0.7590 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0300 -0.3100 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2250 -0.0830 0.9360 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5690 1.0600 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6330 2.2860 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5760 2.6670 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9910 3.7840 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 4.2140 -0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5440 3.3440 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7270 3.6320 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4280 4.6270 1.5060 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9730 2.6500 2.5660 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1370 2.8270 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8130 3.7030 4.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8900 0.6230 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.8940 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1440 -1.1940 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7660 -1.3900 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3330 0.3130 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3890 1.2000 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1240 2.5490 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8060 3.0080 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 23 1 0
2 3 1 0
2 20 1 0
3 4 1 0
3 19 2 0
4 5 1 0
4 18 1 0
5 6 1 0
5 16 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
16 17 1 0
17 18 1 0
20 21 2 0
21 22 1 0
22 23 2 0
M END
> <ACTIVITY> (88)
8.19
$$$$
Ro14-5975
24 27 0 0 0 0 0 0 0 0999 V2000
0.2680 2.1220 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 0.7590 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0320 -0.3080 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2240 -0.0830 0.9370 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5670 1.0600 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6310 2.2860 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5760 2.6670 0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9910 3.7820 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 4.2130 -0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 3.3440 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7260 3.6340 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4260 4.6290 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9700 2.6530 2.5680 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1290 2.8330 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8000 3.7170 4.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8880 0.6240 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7970 -0.8930 2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1420 -1.1950 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7670 -1.3840 -0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3310 0.3080 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3810 1.2000 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1230 2.5490 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8050 3.0100 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0020 0.6300 0.0010 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 23 1 0
2 3 1 0
2 20 1 0
3 4 1 0
3 19 2 0
4 5 1 0
4 18 1 0
5 6 1 0
5 16 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
16 17 1 0
17 18 1 0
20 21 2 0
21 22 1 0
21 24 1 0
22 23 2 0
M END
> <ACTIVITY> (89)
7.21
$$$$
Ro14-7181
21 24 0 0 0 0 0 0 0 0999 V2000
0.2570 2.1250 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0070 0.7570 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0430 -0.3030 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2240 -0.0740 0.9430 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5490 1.0690 1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6190 2.2970 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5580 2.6830 0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9660 3.8100 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1420 4.2310 -0.1520 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5360 3.3460 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 3.6370 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4710 4.6140 1.4600 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0660 2.6530 2.5060 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8560 0.6340 2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7570 -0.8810 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1380 -1.1840 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7950 -1.3800 -0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3240 0.2950 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3890 1.1720 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1380 2.5270 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8260 3.0020 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 1 0
3 17 2 0
4 5 1 0
4 16 1 0
5 6 1 0
5 14 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
14 15 1 0
15 16 1 0
18 19 2 0
19 20 1 0
20 21 2 0
M END
> <ACTIVITY> (90)
5
$$$$
Ro14-7187
21 24 0 0 0 0 0 0 0 0999 V2000
0.2460 2.2060 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0500 0.8040 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1190 -0.2450 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.1160 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5190 1.0790 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5870 2.3330 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 2.7960 0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0310 3.9700 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2470 4.2050 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5950 3.1820 0.9350 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3650 4.7830 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0590 -1.4880 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5440 -1.4370 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4680 -2.5950 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -3.8140 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4100 -3.8780 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -2.7210 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2780 0.3250 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3700 1.1880 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1630 2.5580 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 3.0650 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
18 19 2 0
19 20 1 0
20 21 2 0
M END
> <ACTIVITY> (91)
6.39
$$$$
Ro14-7437
21 23 0 0 0 0 0 0 0 0999 V2000
0.1910 2.1750 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 0.7860 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1160 -0.2230 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2490 0.0890 1.1360 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3440 1.2690 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4810 2.4180 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4510 2.8090 0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8690 3.9740 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0940 4.3030 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5120 3.3260 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8410 3.3140 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6960 4.1680 1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0150 2.2500 2.3040 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2930 2.2000 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3210 0.9830 3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3360 -0.8710 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9650 -1.3200 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2720 0.2420 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3700 1.0490 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1920 2.4140 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9210 2.9770 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 1 0
3 17 2 0
4 5 1 0
4 16 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
18 19 2 0
19 20 1 0
20 21 2 0
M END
> <ACTIVITY> (92)
8.52
$$$$
Ro15-0791
25 28 0 0 0 0 0 0 0 0999 V2000
0.2380 2.2040 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 0.8010 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1240 -0.2430 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 -0.1080 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5540 1.0750 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6170 2.3350 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5210 2.8120 0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9060 4.0380 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1570 4.3300 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6320 3.2720 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0140 3.1760 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8610 4.0450 1.0790 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3630 2.1040 2.0780 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6980 1.9540 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6060 1.1130 3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0570 -1.4850 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 -1.4310 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4600 -2.5880 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8910 -3.8080 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4020 -3.8750 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4840 -2.7200 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 0.3180 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3700 1.1760 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1670 2.5450 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 3.0590 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 2 0
3 16 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
16 17 2 0
16 21 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
22 23 2 0
23 24 1 0
24 25 2 0
M END
> <ACTIVITY> (93)
8.6
$$$$
Ro15-1310
22 24 0 0 0 0 0 0 0 0999 V2000
0.1910 2.1760 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 0.7870 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1170 -0.2200 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2450 0.0920 1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3410 1.2720 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4780 2.4200 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4510 2.8110 0.2190 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8710 3.9740 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0950 4.3010 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5090 3.3260 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8350 3.3130 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6910 4.1650 1.2610 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0030 2.2490 2.3100 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2790 2.1980 2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3040 0.9810 3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3360 -0.8660 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9670 -1.3120 -0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 0.2370 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3600 1.0460 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1900 2.4120 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9190 2.9770 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9250 0.3520 -0.3590 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 1 0
3 17 2 0
4 5 1 0
4 16 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
18 19 2 0
19 20 1 0
19 22 1 0
20 21 2 0
M END
> <ACTIVITY> (94)
8.17
$$$$
Ro15-1746
22 24 0 0 0 0 0 0 0 0999 V2000
0.1910 2.1760 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 0.7870 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1160 -0.2230 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 0.0900 1.1350 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3450 1.2690 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4800 2.4190 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4510 2.8110 0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8690 3.9760 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0940 4.3020 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5110 3.3250 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8410 3.3120 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6950 4.1650 1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0160 2.2490 2.3050 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2950 2.1990 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3240 0.9830 3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3370 -0.8700 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 -1.3180 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2720 0.2410 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3710 1.0470 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1880 2.4110 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9210 2.9790 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5370 3.4100 -0.7710 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 1 0
3 17 2 0
4 5 1 0
4 16 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
18 19 2 0
19 20 1 0
20 21 2 0
20 22 1 0
M END
> <ACTIVITY> (95)
5
$$$$
Ro15-2200
26 29 0 0 0 0 0 0 0 0999 V2000
0.2380 2.2030 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 0.8000 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1230 -0.2440 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2420 -0.1070 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5580 1.0770 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6180 2.3360 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5210 2.8120 0.2550 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9040 4.0370 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1550 4.3310 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6310 3.2750 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0130 3.1840 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8560 4.0550 1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3640 2.1130 2.0780 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6990 1.9670 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6070 1.1250 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0560 -1.4850 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4940 -2.6980 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4470 -3.8750 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9680 -3.8530 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5350 -2.6520 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5830 -1.4810 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1730 -0.3370 -2.5520 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 0.3170 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3690 1.1740 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1660 2.5430 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8730 3.0570 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 26 1 0
2 3 1 0
2 23 1 0
3 4 2 0
3 16 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
16 17 2 0
16 21 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
23 24 2 0
24 25 1 0
25 26 2 0
M END
> <ACTIVITY> (96)
8.38
$$$$
Ro15-2201
24 27 0 0 0 0 0 0 0 0999 V2000
0.2390 2.2040 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0500 0.8010 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1250 -0.2430 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 -0.1070 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 1.0750 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6160 2.3370 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5200 2.8130 0.2590 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9040 4.0400 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1530 4.3360 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6280 3.2770 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0090 3.1900 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8520 4.0640 1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3510 2.1210 2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6820 1.9890 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0580 -1.4840 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5410 -1.4300 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4580 -2.5870 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8890 -3.8080 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4010 -3.8750 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4840 -2.7190 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 0.3170 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3690 1.1740 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1670 2.5440 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 3.0580 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 24 1 0
2 3 1 0
2 21 1 0
3 4 2 0
3 15 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
15 16 2 0
15 20 1 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
21 22 2 0
22 23 1 0
23 24 2 0
M END
> <ACTIVITY> (97)
8.82
$$$$
Ro15-2427
19 21 0 0 0 0 0 0 0 0999 V2000
0.1890 2.1740 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0210 0.7850 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1190 -0.2220 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2530 0.0910 1.1280 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3540 1.2720 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4790 2.4220 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 2.8090 0.2100 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8650 3.9730 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0870 4.3120 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4970 3.3390 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8190 3.3610 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6710 4.2180 1.2660 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0300 2.3150 2.3170 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3390 -0.8710 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9690 -1.3170 -0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 0.2400 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3710 1.0450 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1960 2.4110 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 2.9740 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 19 1 0
2 3 1 0
2 16 1 0
3 4 1 0
3 15 2 0
4 5 1 0
4 14 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
16 17 2 0
17 18 1 0
18 19 2 0
M END
> <ACTIVITY> (98)
5
$$$$
Ro15-3237
22 24 0 0 0 0 0 0 0 0999 V2000
0.1640 2.2170 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 0.8130 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 -0.1660 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2030 0.1150 1.2110 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 1.3170 2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4550 2.4310 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4450 2.8200 0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9500 3.8750 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 4.1860 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5240 3.2810 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8360 3.2620 1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7370 4.0490 1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9390 2.2730 2.4150 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2030 2.2150 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1700 1.0610 4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3420 -0.7880 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0810 -1.2080 -0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2440 0.2240 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3720 1.0000 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2450 2.3810 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9920 2.9940 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0240 4.7260 -0.1020 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 1 0
3 17 2 0
4 5 1 0
4 16 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
M END
> <ACTIVITY> (99)
5
$$$$
Ro15-3505
22 24 0 0 0 0 0 0 0 0999 V2000
0.1830 2.1550 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.7750 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1500 -0.1720 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1820 0.0830 1.2640 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2570 1.3050 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4480 2.4070 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4520 2.7750 0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9060 3.9020 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1320 4.2160 -0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5060 3.2750 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 3.2530 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7070 4.0690 1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9480 2.2310 2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2050 2.1860 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1870 1.0080 4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3760 -0.7470 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 -1.1210 -0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3030 0.2450 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3920 1.0620 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1960 2.4080 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9160 2.9560 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6680 -1.3980 0.6570 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 1 0
3 17 2 0
4 5 1 0
4 16 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
18 19 2 0
18 22 1 0
19 20 1 0
20 21 2 0
M END
> <ACTIVITY> (100)
8.57
$$$$
Ro15-3929
27 30 0 0 0 0 0 0 0 0999 V2000
0.2390 2.2010 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0530 0.7980 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1320 -0.2390 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2610 -0.0960 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5900 1.0890 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6260 2.3520 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5210 2.8150 0.2420 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8930 4.0380 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1380 4.3520 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6270 3.3030 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9850 3.2770 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 4.1970 1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3860 2.1620 2.0310 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7010 2.0750 2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0690 0.6060 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0570 -1.4800 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5080 -2.6910 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4590 -3.8680 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9620 -3.8470 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5140 -2.6490 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5650 -1.4790 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1420 -0.3360 -2.5380 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 0.3070 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3640 1.1630 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1710 2.5330 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8780 3.0510 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9570 0.5150 -0.0900 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 26 1 0
2 3 1 0
2 23 1 0
3 4 2 0
3 16 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
16 17 2 0
16 21 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
23 24 2 0
24 25 1 0
24 27 1 0
25 26 2 0
M END
> <ACTIVITY> (101)
7.8
$$$$
Ro15-4941
24 27 0 0 0 0 0 0 0 0999 V2000
0.2650 2.1020 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0030 0.7430 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -0.2790 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0810 0.9710 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5310 1.0670 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6160 2.2780 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5770 2.6430 0.0830 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 3.7470 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1680 4.1780 -0.2000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5410 3.3230 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7260 3.6140 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4400 4.5980 1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9550 2.6470 2.5750 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1150 2.8230 3.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7880 3.7040 4.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8380 0.6310 2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7570 -0.8880 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1310 -1.1830 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9150 -1.2680 -0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3430 0.3150 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 1.2160 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1230 2.5460 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8030 2.9900 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7980 -1.2990 0.7810 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 23 1 0
2 3 1 0
2 20 1 0
3 4 1 0
3 19 2 0
4 5 1 0
4 18 1 0
5 6 1 0
5 16 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
16 17 1 0
17 18 1 0
20 21 2 0
20 24 1 0
21 22 1 0
22 23 2 0
M END
> <ACTIVITY> (102)
8.77
$$$$
Ro15-8670
26 29 0 0 0 0 0 0 0 0999 V2000
0.2550 2.1680 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 0.7800 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1700 -0.2210 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2540 -0.1180 0.9220 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4350 1.0420 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5960 2.2490 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 2.7430 0.1910 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9840 3.9340 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2390 4.1890 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6500 3.1370 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9970 3.0570 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8760 3.8970 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1630 1.9240 2.0940 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4660 1.7710 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4840 0.4700 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0460 -1.4370 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4800 -2.6740 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3770 -3.8170 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8510 -3.7270 -2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4300 -2.4940 -2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5300 -1.3460 -1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2650 0.2770 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3470 1.1330 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1420 2.4950 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 3.0150 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9470 0.4980 -0.0190 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 2 0
3 16 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
16 17 2 0
16 21 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
22 23 2 0
23 24 1 0
23 26 1 0
24 25 2 0
M END
> <ACTIVITY> (103)
7.82
$$$$
Ro15-8852
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0710 2.5090 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.1650 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3130 0.2830 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 0.7070 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 2.0860 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7660 2.9610 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5040 2.7490 0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6560 2.3470 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8010 0.9350 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4730 -0.0160 0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -0.4010 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 -1.5840 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 -1.3940 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 -2.4660 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -3.7390 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 -3.9430 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3250 -2.8730 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0930 0.1760 -2.2680 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.2670 -1.2260 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5480 3.1840 1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7280 0.6760 -0.3550 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.9410 -0.5470 -0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6010 1.5330 -0.6140 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 20 2 0
9 10 1 0
10 11 1 0
10 19 1 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
13 18 1 0
14 15 2 0
15 16 1 0
16 17 2 0
21 22 2 0
21 23 1 0
M END
> <ACTIVITY> (104)
6.14
$$$$
Ro15-8867
22 24 0 0 0 0 0 0 0 0999 V2000
0.2670 2.1600 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0380 0.7640 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1140 -0.2730 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2480 -0.1100 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5350 1.0620 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6520 2.3160 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5230 2.7850 0.2990 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7090 2.9540 0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0510 -1.5210 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 -2.7030 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5110 -3.9090 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9960 -3.9500 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5100 -2.7850 -2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 -1.5740 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0570 -0.1650 -2.7520 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2920 0.3040 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3580 1.2000 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1180 2.5710 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8090 3.0410 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7310 0.6920 -0.2160 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.9220 -0.5310 -0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6440 1.5050 -0.4480 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 19 1 0
2 3 1 0
2 16 1 0
3 4 2 0
3 9 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 2 0
9 10 2 0
9 14 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
16 17 2 0
17 18 1 0
17 20 1 0
18 19 2 0
20 21 2 0
20 22 1 0
M END
> <ACTIVITY> (105)
7.6
$$$$
Ro15-9270
25 28 0 0 0 0 0 0 0 0999 V2000
0.2450 2.1980 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0430 0.7950 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1140 -0.2510 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2170 -0.1090 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5280 1.0940 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5910 2.3370 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5390 2.7870 0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0340 3.9490 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2490 4.1930 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5990 3.1860 0.9000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3690 4.7400 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -1.5050 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 -2.6900 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4700 -3.9050 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -3.9510 -2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 -2.7830 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6140 -1.5640 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0980 -0.1530 -2.8220 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2850 0.3130 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3740 1.1870 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1660 2.5630 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8630 3.0620 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7400 0.6520 -0.1140 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.9020 -0.5760 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6790 1.4490 -0.2990 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
20 23 1 0
21 22 2 0
23 24 2 0
23 25 1 0
M END
> <ACTIVITY> (106)
8.3
$$$$
Ro16-0071
25 28 0 0 0 0 0 0 0 0999 V2000
0.2470 2.1110 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0100 0.7370 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0230 -0.3260 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1700 -0.1230 0.9830 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4420 0.9770 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5500 2.2440 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5390 2.6670 0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9860 3.8220 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 4.2220 0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4770 3.2920 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6490 3.5220 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3620 4.5120 1.8710 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7960 2.5400 2.8990 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8120 2.6520 3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2240 2.6860 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6650 1.3710 4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5430 3.8570 4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7220 0.5230 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6540 -0.9950 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0900 -1.2330 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8070 -1.3820 -0.3420 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3340 0.2800 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3850 1.1650 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1270 2.5250 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8210 2.9960 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
23 24 1 0
24 25 2 0
M END
> <ACTIVITY> (107)
8.49
$$$$
Ro16-0529
28 31 0 0 0 0 0 0 0 0999 V2000
0.2590 2.1120 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0010 0.7510 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 -0.2550 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1960 -0.1480 1.0080 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 1.0530 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5900 2.1900 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5710 2.6470 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0620 3.7660 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3210 4.0020 -0.2680 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6800 3.0170 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0190 2.9340 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9280 3.7190 0.9930 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1180 1.8770 2.0990 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3480 1.5870 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4870 1.2450 1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0270 0.3410 3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7250 2.7320 3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0380 -1.4430 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5540 -1.3160 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5030 -2.4340 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9420 -3.6750 -2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4400 -3.8020 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4940 -2.6880 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3370 0.3250 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3880 1.2100 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1220 2.5250 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8050 2.9810 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -1.2650 0.9100 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 27 1 0
2 3 1 0
2 24 1 0
3 4 2 0
3 18 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 2 0
18 23 1 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
24 25 2 0
24 28 1 0
25 26 1 0
26 27 2 0
M END
> <ACTIVITY> (108)
7.85
$$$$
Ro16-3031
25 28 0 0 0 0 0 0 0 0999 V2000
0.2640 2.0960 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0060 0.7440 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0650 -0.2770 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0660 0.9870 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5210 1.0860 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5990 2.2970 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5740 2.6410 0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 3.7380 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1440 4.2010 -0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4980 3.3670 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6410 3.6980 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3340 4.6980 1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8630 2.7420 2.6770 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9870 2.9500 3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4300 1.5790 4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5700 3.8400 4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8330 0.6610 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7790 -0.8590 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1500 -1.1530 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9150 -1.2730 -0.4540 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3450 0.3160 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 1.2120 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1220 2.5360 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8020 2.9800 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8010 -1.2900 0.8210 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 24 1 0
2 3 1 0
2 21 1 0
3 4 1 0
3 20 2 0
4 5 1 0
4 19 1 0
5 6 1 0
5 17 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
17 18 1 0
18 19 1 0
21 22 2 0
21 25 1 0
22 23 1 0
23 24 2 0
M END
> <ACTIVITY> (109)
8.6
$$$$
Ro16-3607
27 30 0 0 0 0 0 0 0 0999 V2000
0.2760 2.0990 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0020 0.7470 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0520 -0.2960 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2100 -0.0880 0.9600 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5440 1.0600 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6240 2.2730 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5900 2.6300 0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0260 3.7230 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1740 4.1720 -0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5320 3.3350 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6830 3.6580 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3760 4.6560 1.5320 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9040 2.6990 2.6260 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0270 2.7820 3.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9230 4.0140 4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9130 1.5220 4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3610 2.7360 2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8610 0.6250 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7870 -0.8940 2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1400 -1.1880 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8760 -1.3100 -0.4260 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 0.3300 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 1.2400 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1120 2.5680 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7870 2.9980 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6590 -0.9590 0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0730 -1.1320 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
26 27 1 0
M END
> <ACTIVITY> (110)
7.34
$$$$
Ro16-3774
26 29 0 0 0 0 0 0 0 0999 V2000
0.2750 2.0990 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0090 0.7460 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0540 -0.2950 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2140 -0.0860 0.9530 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5470 1.0600 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6260 2.2740 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5910 2.6300 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0250 3.7260 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1740 4.1760 -0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5320 3.3370 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6820 3.6580 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3740 4.6580 1.5410 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9030 2.6970 2.6320 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0180 2.7920 3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8920 4.0220 4.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9160 1.5310 4.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3590 2.7610 2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8630 0.6240 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7920 -0.8940 2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 -1.1800 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8620 -1.3210 -0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3600 0.3220 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 1.2450 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1060 2.5710 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7820 2.9990 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 -1.1070 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
M END
> <ACTIVITY> (111)
8.49
$$$$
Ro16-4019
25 28 0 0 0 0 0 0 0 0999 V2000
0.2590 2.1000 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0030 0.7420 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0740 -0.2720 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0620 0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5170 1.0900 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5970 2.3020 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5670 2.6510 0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9940 3.7540 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1390 4.2070 -0.1760 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5040 3.3660 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6620 3.6850 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3620 4.6810 1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8960 2.7260 2.6500 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0370 2.9690 3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1530 1.8270 4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3450 2.0180 5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8250 0.6650 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7550 -0.8540 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1400 -1.1560 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9340 -1.2650 -0.4710 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 0.3050 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3940 1.1980 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1300 2.5270 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8120 2.9790 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7890 -1.3100 0.7740 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 24 1 0
2 3 1 0
2 21 1 0
3 4 1 0
3 20 2 0
4 5 1 0
4 19 1 0
5 6 1 0
5 17 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
17 18 1 0
18 19 1 0
21 22 2 0
21 25 1 0
22 23 1 0
23 24 2 0
M END
> <ACTIVITY> (112)
8.85
$$$$
Ro16-4234
22 25 0 0 0 0 0 0 0 0999 V2000
0.2640 2.1000 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0030 0.7420 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0680 -0.2780 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2020 -0.0790 0.9740 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 1.0700 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6110 2.2790 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5770 2.6390 0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0090 3.7370 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1690 4.1750 -0.2090 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5270 3.3280 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7070 3.6460 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4330 4.6190 1.4830 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9860 2.6940 2.5780 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8280 0.6330 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7450 -0.8860 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1360 -1.1750 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9210 -1.2640 -0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3430 0.3130 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3920 1.2150 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1230 2.5460 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8030 2.9910 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7980 -1.3050 0.7640 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 1 0
3 17 2 0
4 5 1 0
4 16 1 0
5 6 1 0
5 14 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
14 15 1 0
15 16 1 0
18 19 2 0
18 22 1 0
19 20 1 0
20 21 2 0
M END
> <ACTIVITY> (113)
5.52
$$$$
Ro16-4261
26 29 0 0 0 0 0 0 0 0999 V2000
0.2470 2.1270 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.7580 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -0.2890 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0620 0.9860 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5150 1.0950 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5950 2.3140 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5480 2.6900 0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9730 3.8060 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1510 4.2220 -0.1600 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5160 3.3630 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7050 3.6620 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 4.6530 1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8690 2.7720 2.6900 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9080 2.9450 3.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7010 4.2430 4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3050 2.8660 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7340 1.7600 4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8250 0.6830 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7920 -0.8360 2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1750 -1.1320 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8410 -1.3490 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3250 0.2840 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3790 1.1620 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1460 2.5120 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8370 2.9960 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6350 0.6960 -0.0350 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
23 24 1 0
23 26 1 0
24 25 2 0
M END
> <ACTIVITY> (114)
8.11
$$$$
Ro16-5824
27 30 0 0 0 0 0 0 0 0999 V2000
0.2790 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0110 0.7430 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0540 -0.2870 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0910 0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5400 1.0560 1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6230 2.2660 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5980 2.6110 0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0440 3.6940 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1800 4.1570 -0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 3.3350 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6540 3.6780 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3430 4.6780 1.5660 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8630 2.7260 2.6670 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9790 2.8090 3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8760 4.0490 4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8490 1.5560 4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3170 2.7470 2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8580 0.6190 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7940 -0.9010 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1490 -1.1810 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8940 -1.2680 -0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3590 0.3340 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3890 1.2620 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0980 2.5720 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7730 2.9880 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8650 -1.2990 0.9760 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.6720 -1.1880 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
26 27 1 0
M END
> <ACTIVITY> (115)
8.47
$$$$
Ro16-6048
29 32 0 0 0 0 0 0 0 0999 V2000
0.2630 2.1060 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0020 0.7500 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0700 -0.2710 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2140 -0.0570 0.9750 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 1.0910 1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6000 2.3040 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 2.6550 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0020 3.7560 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1470 4.2090 -0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5030 3.3680 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6470 3.6830 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3390 4.6830 1.5830 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8560 2.7190 2.6630 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9690 2.8050 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3100 2.7580 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8510 1.5470 4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8590 4.0390 4.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8350 0.6660 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7790 -0.8540 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1580 -1.1460 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8780 -1.2820 -0.4140 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3390 0.2960 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3880 1.1970 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1220 2.5250 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8070 2.9810 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6850 -1.1330 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9260 -1.2130 1.2850 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.7360 -1.9720 -0.3550 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 -1.6860 1.6340 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
26 27 1 0
26 28 1 0
26 29 1 0
M END
> <ACTIVITY> (116)
8.48
$$$$
Ro16-6127
27 30 0 0 0 0 0 0 0 0999 V2000
0.2610 2.0990 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0080 0.7440 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -0.2710 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2010 -0.0640 0.9910 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5190 1.0880 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5960 2.2980 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5720 2.6420 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 3.7370 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1470 4.1960 -0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4990 3.3630 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6410 3.6920 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3310 4.6920 1.5770 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8530 2.7340 2.6700 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9750 2.8100 3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3080 2.7410 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8430 1.5580 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8880 4.0500 4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8330 0.6640 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7790 -0.8560 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1500 -1.1500 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9210 -1.2590 -0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3440 0.3080 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3820 1.2100 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1220 2.5330 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8040 2.9820 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6630 0.8200 0.2080 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.7800 -1.3020 0.8350 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 27 1 0
23 24 1 0
23 26 1 0
24 25 2 0
M END
> <ACTIVITY> (117)
8.51
$$$$
Ro16-6624
27 30 0 0 0 0 0 0 0 0999 V2000
0.2750 2.0950 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0090 0.7400 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0630 -0.2900 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2100 -0.0860 0.9590 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5370 1.0620 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6210 2.2710 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5910 2.6230 0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 3.7160 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1740 4.1680 -0.2140 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5290 3.3330 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6790 3.6540 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3770 4.6490 1.5360 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8930 2.6960 2.6320 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0070 2.7850 3.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8850 4.0170 4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8950 1.5240 4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3470 2.7480 2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8490 0.6280 2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7820 -0.8910 2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1530 -1.1770 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 -1.3020 -0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3600 0.3180 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3920 1.2520 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 2.5760 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7800 2.9990 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7680 -1.1040 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9270 -1.9760 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
26 27 1 0
M END
> <ACTIVITY> (118)
8
$$$$
Ro16-6654
28 32 0 0 0 0 0 0 0 0999 V2000
0.2590 2.1000 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0020 0.7430 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0760 -0.2710 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2070 -0.0600 0.9860 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5110 1.0910 1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5940 2.3030 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5660 2.6500 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9980 3.7500 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1430 4.2030 -0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5030 3.3630 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6610 3.6790 1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3620 4.6730 1.5520 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8860 2.7220 2.6500 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0240 2.9190 3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4450 1.5450 4.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5810 1.6530 5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2270 2.5990 6.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7830 3.9670 5.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6520 3.8520 4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8160 0.6690 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7550 -0.8510 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1500 -1.1470 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9370 -1.2620 -0.4750 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3390 0.3070 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 1.1980 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1290 2.5270 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8120 2.9800 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 -1.3060 0.7900 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 27 1 0
2 3 1 0
2 24 1 0
3 4 1 0
3 23 2 0
4 5 1 0
4 22 1 0
5 6 1 0
5 20 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 19 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
20 21 1 0
21 22 1 0
24 25 2 0
24 28 1 0
25 26 1 0
26 27 2 0
M END
> <ACTIVITY> (119)
8.4
$$$$
Ro16-6950
28 31 0 0 0 0 0 0 0 0999 V2000
0.3060 2.0540 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0630 0.7690 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9210 -0.3360 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1330 -0.1320 1.0700 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5380 1.0230 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6310 2.2180 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6450 2.5350 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1520 3.5700 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2400 4.0820 -0.1850 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4710 3.3380 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4500 3.8140 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0830 4.8540 1.8090 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4890 3.0230 3.0580 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3310 3.3460 4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8050 3.5120 3.8140 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2090 2.1290 5.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7890 4.5800 4.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8560 0.5390 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3930 -0.5170 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1300 -1.1950 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6340 -1.3950 -0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4340 0.4590 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4260 1.3680 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0480 2.6030 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 2.9480 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8750 -0.8220 1.0140 N 0 3 0 0 0 0 0 0 0 0 0 0
-2.7120 -1.4650 0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4110 -1.1830 2.1110 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
26 27 2 0
26 28 1 0
M END
> <ACTIVITY> (120)
8.55
$$$$
Ro16-7082
26 29 0 0 0 0 0 0 0 0999 V2000
0.2660 2.0950 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0050 0.7420 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0660 -0.2790 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2020 -0.0700 0.9860 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5230 1.0830 1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6030 2.2940 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5760 2.6370 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 3.7340 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1410 4.2000 -0.1840 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4980 3.3680 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6360 3.7110 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3230 4.7160 1.5890 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8720 2.7540 2.6730 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0160 2.9900 3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2890 1.7340 4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4100 1.9950 5.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6410 0.5400 3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8360 0.6550 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7700 -0.8650 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1420 -1.1620 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 -1.2740 -0.4600 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3460 0.3160 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 1.2160 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1190 2.5410 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7990 2.9820 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8040 -1.2950 0.7920 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
M END
> <ACTIVITY> (121)
8.2
$$$$
Ro16-7083
26 29 0 0 0 0 0 0 0 0999 V2000
0.2650 2.0960 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0050 0.7430 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -0.2780 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0670 0.9850 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5220 1.0850 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6020 2.2950 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5760 2.6380 0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0110 3.7320 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1480 4.1950 -0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 3.3660 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6320 3.7040 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3190 4.7100 1.5950 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8590 2.7480 2.6810 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0060 2.9380 3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7010 2.2160 4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7830 2.3830 5.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2340 2.3690 2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8340 0.6600 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7750 -0.8610 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1510 -1.1540 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9170 -1.2730 -0.4580 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3450 0.3170 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 1.2150 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 2.5400 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8000 2.9830 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8020 -1.2920 0.8070 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 17 1 0
15 16 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
M END
> <ACTIVITY> (122)
8.54
$$$$
Ro16-8912
26 29 0 0 0 0 0 0 0 0999 V2000
0.2820 2.1030 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0010 0.7540 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0320 -0.3010 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1860 -0.0960 0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5390 1.0680 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6230 2.2740 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5980 2.6250 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 3.7080 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1870 4.1700 -0.2260 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4990 3.3640 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5610 3.7730 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2040 4.8080 1.6570 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6280 2.9250 2.8440 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3900 3.2350 4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8790 3.4270 3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2140 1.9990 4.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 4.4520 4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8630 0.6390 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8410 -0.8840 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 -1.1700 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8360 -1.3340 -0.3720 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3370 0.3340 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3860 1.2340 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 2.5710 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7790 3.0040 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6450 -0.9570 0.4950 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
M END
> <ACTIVITY> (123)
8.21
$$$$
Ro16-9906
25 28 0 0 0 0 0 0 0 0999 V2000
0.2580 2.1010 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.7400 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0820 -0.2690 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2030 -0.0620 0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5090 1.0920 1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5930 2.3020 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5640 2.6510 0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9910 3.7540 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1370 4.2050 -0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5040 3.3610 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6670 3.6780 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3670 4.6730 1.5430 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9020 2.7150 2.6290 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0570 2.9520 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1650 1.8140 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2200 1.9440 5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 0.6710 2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7440 -0.8470 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 -1.1570 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9560 -1.2550 -0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3360 0.3000 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3900 1.1950 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1300 2.5290 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8140 2.9830 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7820 -1.3230 0.7330 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 24 1 0
2 3 1 0
2 21 1 0
3 4 1 0
3 20 2 0
4 5 1 0
4 19 1 0
5 6 1 0
5 17 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
17 18 1 0
18 19 1 0
21 22 2 0
21 25 1 0
22 23 1 0
23 24 2 0
M END
> <ACTIVITY> (124)
8.77
$$$$
Ro16-9918
26 30 0 0 0 0 0 0 0 0999 V2000
0.2480 2.1080 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0060 0.7400 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 -0.2570 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2070 -0.0490 0.9970 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4930 1.1050 1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5840 2.3130 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5490 2.6710 0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9700 3.7820 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1330 4.2120 -0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5110 3.3540 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7070 3.6350 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4280 4.6120 1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9360 2.6710 2.5830 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1010 2.8960 3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2110 1.7770 4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8940 0.4860 3.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5450 1.4240 4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7830 0.6860 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7080 -0.8330 2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 -1.1420 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9950 -1.2350 -0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3250 0.2810 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3890 1.1670 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 2.5100 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8330 2.9810 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7550 -1.3540 0.6700 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 1 0
3 21 2 0
4 5 1 0
4 20 1 0
5 6 1 0
5 18 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
16 17 1 0
18 19 1 0
19 20 1 0
22 23 2 0
22 26 1 0
23 24 1 0
24 25 2 0
M END
> <ACTIVITY> (125)
8.64
$$$$
Ro17-1302
28 32 0 0 0 0 0 0 0 0999 V2000
0.2490 2.1060 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0010 0.7410 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0910 -0.2590 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -0.0510 1.0060 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4940 1.1020 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5820 2.3070 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5520 2.6600 0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9830 3.7580 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1450 4.1910 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5070 3.3490 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6880 3.6430 1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4050 4.6210 1.4860 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8900 2.6490 2.6230 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9310 2.6360 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6330 3.7630 3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6270 3.6280 4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9010 2.3780 5.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1810 1.2570 5.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1930 1.3850 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7950 0.6860 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7410 -0.8340 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1510 -1.1310 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9870 -1.2340 -0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3340 0.2900 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3920 1.1810 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1380 2.5220 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8250 2.9860 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7730 -1.3430 0.6750 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 27 1 0
2 3 1 0
2 24 1 0
3 4 1 0
3 23 2 0
4 5 1 0
4 22 1 0
5 6 1 0
5 20 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 2 0
14 19 1 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
20 21 1 0
21 22 1 0
24 25 2 0
24 28 1 0
25 26 1 0
26 27 2 0
M END
> <ACTIVITY> (126)
8.28
$$$$
Ro17-2221
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1380 2.5150 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3710 1.1600 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2920 0.2940 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0300 0.7810 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1620 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8290 3.0080 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 2.7310 0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 2.2270 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2930 1.0640 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1520 -0.1470 1.0120 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1230 -0.2350 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0340 -1.4430 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5140 -1.3570 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4580 -2.4970 -2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9260 -3.7190 -2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4610 -3.8050 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5210 -2.6680 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7590 2.7310 0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8950 3.9390 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9420 5.2160 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0010 6.4280 -0.6510 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
20 21 1 0
M END
> <ACTIVITY> (127)
6.59
$$$$
Ro17-4582
21 24 0 0 0 0 0 0 0 0999 V2000
0.1810 2.0610 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0910 0.6760 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2240 -0.2610 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3310 -0.0760 0.8230 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4840 1.0670 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4740 2.3630 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3460 2.8200 0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 4.1170 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9310 4.3750 0.3460 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4210 3.2780 0.9890 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8600 5.0550 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0870 -1.4930 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5770 -2.6950 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4540 -3.8760 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8440 -3.8610 -2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 -2.6630 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4730 -1.4740 -1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1130 -0.0190 -2.6080 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2920 0.2840 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1510 1.3550 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3150 2.8370 -0.0250 S 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
M END
> <ACTIVITY> (128)
8.46
$$$$
Ro17-9741
22 25 0 0 0 0 0 0 0 0999 V2000
0.2450 2.1130 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 0.7570 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0560 -0.2610 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0720 -0.0530 1.2320 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6280 1.1330 1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5810 2.3240 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 2.6840 0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9660 3.8240 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1210 4.2570 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5040 3.3620 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6930 3.5730 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4310 4.5470 1.5920 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8960 2.5560 2.5860 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0500 2.7140 3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9660 0.3600 1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2250 -0.9010 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9950 -1.2560 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3520 0.3090 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4050 1.1840 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1430 2.5100 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8290 2.9740 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8020 -1.3040 0.7550 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 1 0
3 17 2 0
4 5 1 0
4 16 1 0
5 6 1 0
5 15 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
15 16 1 0
18 19 2 0
18 22 1 0
19 20 1 0
20 21 2 0
M END
> <ACTIVITY> (129)
8.62
$$$$
Ro20-1310
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1200 2.5690 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3740 1.2060 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3200 0.3010 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 0.7660 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 2.1420 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8010 3.0320 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6290 2.6500 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5430 2.2570 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1240 1.0960 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0850 -0.1300 1.0460 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0980 -0.2410 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0560 -1.4430 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5850 -1.3540 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5660 -2.4900 -2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -3.7120 -2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5030 -3.8030 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5250 -2.6700 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6400 2.7980 1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0350 3.6580 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1040 3.6890 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1120 5.0760 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4260 3.2840 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9960 0.6400 0.2270 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 23 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
19 21 1 0
19 22 1 0
M END
> <ACTIVITY> (130)
6.21
$$$$
Ro20-1815
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1280 2.4720 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3670 1.1190 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2720 0.2730 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 0.7710 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2900 2.1540 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8240 2.9830 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 2.7430 0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6430 2.2440 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 1.0740 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2030 -0.1370 0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1500 -0.2390 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0440 -1.4440 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4210 -2.7020 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3040 -3.8290 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8110 -3.7060 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4310 -2.4540 -2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5460 -1.3310 -1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1980 -0.1370 -2.4280 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7770 2.7390 0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8340 3.9860 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6490 0.6110 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (131)
7.19
$$$$
Ro20-2533
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1020 2.5130 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3560 1.1490 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 0.2800 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0470 0.7600 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 2.1400 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7940 3.0010 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5450 2.7490 0.2280 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6280 2.2670 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4070 1.0330 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2420 -0.1460 0.9300 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1600 -0.2450 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0380 -1.4580 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5280 -1.3640 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4350 -2.5080 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8580 -3.7410 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3810 -3.8360 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 -2.6960 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7110 2.8610 0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7680 0.6230 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1950 0.2390 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 1 0
M END
> <ACTIVITY> (132)
7.44
$$$$
Ro20-2541
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1320 2.4850 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3600 1.1230 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 0.2670 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0470 0.7690 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2880 2.1530 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8270 2.9900 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 2.7420 0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 2.2450 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 1.0750 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.1360 0.9930 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1520 -0.2400 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0480 -1.4460 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4250 -2.7030 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3140 -3.8300 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 -3.7070 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4440 -2.4570 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5540 -1.3330 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2040 -0.1400 -2.4320 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7760 2.7400 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8330 3.9820 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6990 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7830 0.1830 -0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
21 22 3 0
M END
> <ACTIVITY> (133)
7.52
$$$$
Ro20-3053
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1020 2.4910 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3470 1.1270 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2650 0.2610 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0540 0.7500 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2850 2.1320 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7960 2.9850 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 2.7500 0.2390 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6310 2.2750 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4270 1.0350 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2640 -0.1400 0.9220 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 -0.2480 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0440 -1.4570 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5220 -1.3430 -1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 -2.4790 -2.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8320 -3.7230 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3570 -3.8350 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 -2.7020 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9500 -2.8420 1.0860 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7070 2.8820 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7280 0.5540 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9010 -0.6580 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8920 1.4810 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
20 21 2 0
20 22 1 0
M END
> <ACTIVITY> (134)
7.74
$$$$
Ro20-5397
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1030 2.5150 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3420 1.1530 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 0.2730 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 0.7570 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1400 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7960 3.0020 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 2.7480 0.2280 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6260 2.2670 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4070 1.0330 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2420 -0.1460 0.9300 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1600 -0.2450 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0390 -1.4590 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5290 -1.3630 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 -2.5060 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8550 -3.7410 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3790 -3.8360 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4770 -2.6960 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7080 2.8630 0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7210 0.6190 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9710 -0.5760 0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 2 0
M END
> <ACTIVITY> (135)
7.37
$$$$
Ro20-5747
20 22 0 0 0 0 0 0 0 0999 V2000
-2.0870 2.4950 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3530 1.1330 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2670 0.2730 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0570 0.7560 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2980 2.1320 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7780 2.9880 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5600 2.7320 0.2050 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 2.2780 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4470 1.0220 1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -0.1430 0.9100 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1690 -0.2440 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0400 -1.4570 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 -1.3650 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4150 -2.5120 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8220 -3.7480 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3500 -3.8400 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4660 -2.6960 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6610 2.9530 0.9650 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7540 0.6800 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1910 -0.5810 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 19 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
19 20 2 0
M END
> <ACTIVITY> (136)
7.62
$$$$
Ro20-7078
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1340 2.5050 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3550 1.1470 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2800 0.2810 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0380 0.7760 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 2.1610 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8270 3.0050 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5960 2.7400 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6470 2.2340 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2870 1.0600 1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1750 -0.1500 1.0050 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1370 -0.2360 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -1.4420 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4900 -2.6780 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4130 -3.8140 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -3.7190 -2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4700 -2.4860 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -1.3550 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1550 -0.1780 -2.4550 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6060 0.7740 2.9930 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7790 2.7360 0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8380 3.9770 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9620 0.5320 0.0350 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 22 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 21 1 0
8 9 1 0
8 20 2 0
9 10 1 0
9 19 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (137)
8.28
$$$$
Ro20-7736
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1290 2.4750 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3710 1.1160 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2720 0.2720 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 0.7720 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2900 2.1540 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8240 2.9860 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 2.7430 0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6440 2.2450 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3190 1.0740 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.1360 0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 -0.2390 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.4450 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4210 -2.7020 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3060 -3.8290 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8140 -3.7060 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 -2.4560 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5480 -1.3310 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2000 -0.1390 -2.4300 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7780 2.7400 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8330 3.9860 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6640 0.5880 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9260 -0.7580 0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
21 22 1 0
M END
> <ACTIVITY> (138)
7.02
$$$$
Ro20-8065
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0870 2.4870 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3800 1.1720 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3430 0.2740 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0010 0.7070 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 2.0660 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7670 2.9310 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5550 2.6560 0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6160 2.2330 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3750 1.0520 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2150 -0.1590 1.0070 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1310 -0.2830 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0530 -1.4630 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5210 -2.7150 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4320 -3.8160 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8720 -3.6760 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 -2.4330 -2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4850 -1.3350 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0430 -0.1480 -2.3190 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6960 2.8320 0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7370 -1.3390 0.8860 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.0510 0.7200 0.1080 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
3 20 1 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (139)
8.44
$$$$
Ro20-8552
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0790 2.4650 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3660 1.1550 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3370 0.2600 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0050 0.7100 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 2.0660 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7630 2.9210 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5580 2.6570 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6190 2.2390 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 1.0580 1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2270 -0.1550 1.0090 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1400 -0.2770 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -1.4540 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5160 -2.7100 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4180 -3.8080 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8510 -3.6600 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3790 -2.4140 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4760 -1.3190 -1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0400 -0.1290 -2.3070 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6970 2.8410 0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6760 -1.1370 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0310 0.6810 0.0570 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
3 20 1 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (140)
7.85
$$$$
Ro20-8895
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1100 2.4950 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3340 1.1290 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2600 0.2610 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0570 0.7490 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 2.1320 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8010 2.9870 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 2.7520 0.2430 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 2.2760 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 1.0340 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2670 -0.1410 0.9190 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1750 -0.2490 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0440 -1.4580 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4650 -2.7080 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3270 -3.8370 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -3.7220 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3460 -2.4780 -2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4810 -1.3520 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0880 -0.1640 -2.3860 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7050 2.8830 0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2610 3.4340 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
1 20 1 0
2 3 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
M END
> <ACTIVITY> (141)
7.72
$$$$
Ro21-5205
26 29 0 0 0 0 0 0 0 0999 V2000
0.2540 2.1670 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 0.7790 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1670 -0.2230 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2490 -0.1220 0.9290 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 1.0430 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5980 2.2400 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5480 2.7360 0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9930 3.9170 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2560 4.1560 -0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6640 3.1070 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0200 3.0070 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9120 3.8280 1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1780 1.8850 2.0450 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4820 1.7340 2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0460 -1.4350 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4820 -2.6720 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -3.8130 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8540 -3.7210 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4350 -2.4870 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 -1.3500 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1550 -0.1710 -2.4510 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 0.2760 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.1350 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1420 2.4970 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 3.0150 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9500 0.5020 -0.0170 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 25 1 0
2 3 1 0
2 22 1 0
3 4 2 0
3 15 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
15 16 2 0
15 20 1 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
22 23 2 0
23 24 1 0
23 26 1 0
24 25 2 0
M END
> <ACTIVITY> (142)
8.13
$$$$
Ro21-8137
25 28 0 0 0 0 0 0 0 0999 V2000
0.2560 2.1600 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 0.7750 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1660 -0.2220 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -0.1170 0.9220 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4360 1.0410 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5910 2.2550 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5500 2.7280 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0030 3.8860 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2570 4.1450 -0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6390 3.1500 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9770 3.1410 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8250 4.0010 1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2250 2.1550 2.2800 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.4340 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4810 -2.6710 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3790 -3.8120 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8540 -3.7200 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 -2.4860 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5360 -1.3490 -1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1540 -0.1700 -2.4530 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 0.2750 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.1340 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1380 2.4940 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8400 3.0100 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9510 0.5060 -0.0090 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 24 1 0
2 3 1 0
2 21 1 0
3 4 2 0
3 14 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
14 15 2 0
14 19 1 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
21 22 2 0
22 23 1 0
22 25 1 0
23 24 2 0
M END
> <ACTIVITY> (143)
8.46
$$$$
Ro21-8482
29 32 0 0 0 0 0 0 0 0999 V2000
0.2600 2.1740 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 0.7830 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 -0.2160 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2230 -0.1270 0.9290 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3710 1.0380 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5800 2.2300 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5710 2.7230 0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1060 3.8240 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3460 4.0630 -0.1350 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6590 3.0800 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9660 3.0210 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8870 3.8130 1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0900 1.9790 2.3220 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4510 4.5470 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3310 5.5550 -2.3260 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4420 4.9150 -3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 6.3560 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0530 -1.4210 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4960 -2.6420 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4010 -3.8090 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8740 -3.7610 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4480 -2.5450 -2.7370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 -1.3690 -1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0530 0.1060 -2.7440 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 0.2810 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.1500 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1420 2.5210 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8430 3.0340 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9520 0.5230 -0.0200 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 28 1 0
2 3 1 0
2 25 1 0
3 4 2 0
3 18 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 14 1 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
14 15 1 0
15 16 1 0
15 17 1 0
18 19 2 0
18 23 1 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
25 26 2 0
26 27 1 0
26 29 1 0
27 28 2 0
M END
> <ACTIVITY> (144)
7.59
$$$$
Ro22-0780
21 24 0 0 0 0 0 0 0 0999 V2000
0.0370 2.1550 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1060 0.7580 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0660 -0.1940 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1540 -0.0510 0.8540 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3920 1.1320 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 2.3540 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 2.7990 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6840 3.9410 -0.5600 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9580 4.1140 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4580 3.1910 0.7250 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9800 -1.4370 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4830 -1.3900 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4220 -2.5570 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8640 -3.7680 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3730 -3.8150 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4370 -2.6510 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3960 0.1980 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5220 1.0080 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3840 2.3790 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1110 2.9510 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0920 0.3030 0.0420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 20 1 0
2 3 1 0
2 17 1 0
3 4 2 0
3 11 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 2 0
8 9 1 0
9 10 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
17 18 2 0
18 19 1 0
18 21 1 0
19 20 2 0
M END
> <ACTIVITY> (145)
7.96
$$$$
Ro22-0992
25 28 0 0 0 0 0 0 0 0999 V2000
0.2480 2.1810 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 0.7860 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1810 -0.2060 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 -0.1170 0.8800 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4530 1.0260 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6100 2.2470 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5390 2.7590 0.2310 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9620 3.9620 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2280 4.2020 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6670 3.1270 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0490 3.0580 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9050 3.9100 1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3550 1.9580 1.9470 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0470 -1.4140 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4850 -2.6370 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3710 -3.8060 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8300 -3.7570 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4110 -2.5380 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5220 -1.3610 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0380 0.1150 -2.7310 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2570 0.2720 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3440 1.1280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1500 2.4980 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8590 3.0270 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9380 0.4810 -0.0890 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 24 1 0
2 3 1 0
2 21 1 0
3 4 2 0
3 14 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
14 15 2 0
14 19 1 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
21 22 2 0
22 23 1 0
22 25 1 0
23 24 2 0
M END
> <ACTIVITY> (146)
7.89
$$$$
Ro22-1251
23 26 0 0 0 0 0 0 0 0999 V2000
0.2780 2.1690 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0320 0.7800 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 -0.2320 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 -0.1350 0.9670 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3680 1.0570 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6090 2.2640 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6300 2.7600 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8370 3.8510 -0.6720 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0480 4.4350 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0540 4.0230 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8110 2.9380 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2720 5.6540 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0440 -1.4530 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5440 -1.3750 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4710 -2.5250 -2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9040 -3.7500 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4170 -3.8290 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 -2.6820 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2880 0.2870 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3650 1.1600 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1480 2.5250 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8410 3.0210 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9720 0.5440 0.0300 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 13 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 11 1 0
7 8 1 0
8 9 2 0
9 10 1 0
9 12 1 0
10 11 2 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
19 20 2 0
20 21 1 0
20 23 1 0
21 22 2 0
M END
> <ACTIVITY> (147)
7.96
$$$$
Ro22-1274
19 21 0 0 0 0 0 0 0 0999 V2000
0.2620 2.1520 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0350 0.7620 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 -0.2300 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2380 -0.1110 0.9320 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4160 1.0630 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5710 2.2790 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5930 2.7690 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0540 -1.4490 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4600 -2.6940 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3480 -3.8320 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8290 -3.7320 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4190 -2.4930 -2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5300 -1.3580 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1530 -0.1760 -2.4360 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2810 0.2660 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3560 1.1430 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1410 2.5140 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8380 3.0150 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9620 0.5250 -0.0490 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 18 1 0
2 3 1 0
2 15 1 0
3 4 2 0
3 8 1 0
4 5 1 0
5 6 1 0
6 7 2 0
8 9 2 0
8 13 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
15 16 2 0
16 17 1 0
16 19 1 0
17 18 2 0
M END
> <ACTIVITY> (148)
7.12
$$$$
Ro22-1366
24 27 0 0 0 0 0 0 0 0999 V2000
0.2790 2.1660 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0410 0.7740 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1570 -0.2310 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2150 -0.1250 0.9590 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3920 1.0650 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6150 2.2770 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6260 2.7690 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8190 3.8650 -0.6590 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0260 4.4600 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0400 4.0530 0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8120 2.9620 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2320 5.6850 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0490 -1.4480 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4290 -2.6990 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3170 -3.8350 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 -3.7280 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4410 -2.4840 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5520 -1.3510 -1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2010 -0.1640 -2.4540 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 0.2720 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3570 1.1380 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 2.5050 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8460 3.0100 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9600 0.5100 -0.0120 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 23 1 0
2 3 1 0
2 20 1 0
3 4 2 0
3 13 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 11 1 0
7 8 1 0
8 9 2 0
9 10 1 0
9 12 1 0
10 11 2 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
20 21 2 0
21 22 1 0
21 24 1 0
22 23 2 0
M END
> <ACTIVITY> (149)
8.4
$$$$
Ro22-1892
29 32 0 0 0 0 0 0 0 0999 V2000
0.2660 2.1620 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0820 0.7670 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1890 -0.2400 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2820 -0.0780 0.9470 N 0 3 0 0 0 0 0 0 0 0 0 0
2.4980 1.1110 1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6060 2.3340 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 2.7780 0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9400 3.9750 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1820 4.2820 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6260 3.2610 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9760 3.2410 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8190 4.1140 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1810 2.1360 2.1470 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4730 2.0120 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7050 0.5280 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4820 2.7960 4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2310 -0.9510 0.9120 O 0 5 0 0 0 0 0 0 0 0 0 0
1.0660 -1.4470 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4580 -2.6980 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3000 -3.8270 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7530 -3.7050 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 -2.4540 -2.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5170 -1.3310 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1370 -0.1340 -2.3840 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2250 0.2460 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3210 1.0860 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1380 2.4530 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8510 2.9900 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9080 0.4210 -0.0980 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 28 1 0
2 3 1 0
2 25 1 0
3 4 2 0
3 18 1 0
4 5 1 0
4 17 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
18 19 2 0
18 23 1 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
25 26 2 0
26 27 1 0
26 29 1 0
27 28 2 0
M END
> <ACTIVITY> (150)
7.92
$$$$
Ro22-2038
24 27 0 0 0 0 0 0 0 0999 V2000
0.2780 2.1660 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0410 0.7740 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1570 -0.2310 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2160 -0.1240 0.9580 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3930 1.0650 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6130 2.2760 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6260 2.7690 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8190 3.8670 -0.6560 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0120 4.4640 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0250 4.0560 0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8050 2.9650 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2070 5.5620 -1.3820 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0490 -1.4480 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4290 -2.6980 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3170 -3.8350 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 -3.7290 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 -2.4850 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -1.3510 -1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2000 -0.1650 -2.4530 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 0.2720 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3570 1.1380 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 2.5050 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8460 3.0100 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9600 0.5100 -0.0120 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 23 1 0
2 3 1 0
2 20 1 0
3 4 2 0
3 13 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 11 1 0
7 8 1 0
8 9 2 0
9 10 1 0
9 12 1 0
10 11 2 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
20 21 2 0
21 22 1 0
21 24 1 0
22 23 2 0
M END
> <ACTIVITY> (151)
8.55
$$$$
Ro22-2466
22 25 0 0 0 0 0 0 0 0999 V2000
0.0370 2.1500 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0970 0.7510 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0800 -0.1940 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1780 -0.0420 0.8430 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4180 1.1370 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4240 2.3640 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3330 2.8040 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6660 3.9540 -0.5410 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9410 4.1360 -0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4560 3.2110 0.7230 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9850 -1.4320 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4520 -2.6530 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3510 -3.8080 -0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7830 -3.7470 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3130 -2.5320 -2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 -1.3810 -1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0240 -0.2210 -2.4420 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 0.1830 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5140 0.9860 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3850 2.3600 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1150 2.9400 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0790 0.2700 -0.0030 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 2 0
3 11 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 2 0
8 9 1 0
9 10 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
18 19 2 0
19 20 1 0
19 22 1 0
20 21 2 0
M END
> <ACTIVITY> (152)
8.72
$$$$
Ro22-3147
21 24 0 0 0 0 0 0 0 0999 V2000
0.0070 2.1190 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1040 0.7180 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0870 -0.2070 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1920 -0.0330 0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 1.1510 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 2.3770 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2910 2.7960 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6000 3.9530 -0.5450 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8730 4.1590 -0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4100 3.2440 0.7120 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0030 -1.4560 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5120 -2.6370 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4430 -3.8320 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8650 -3.8520 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3560 -2.6760 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4210 -1.4740 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1810 -0.0470 -2.6630 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3850 0.1330 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5310 0.9140 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4170 2.2900 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1570 2.8890 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 21 1 0
2 3 1 0
2 18 1 0
3 4 2 0
3 11 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 2 0
8 9 1 0
9 10 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
18 19 2 0
19 20 1 0
20 21 2 0
M END
> <ACTIVITY> (153)
8.28
$$$$
Ro22-3148
20 23 0 0 0 0 0 0 0 0999 V2000
0.0080 2.1360 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1190 0.7380 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0610 -0.2030 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1510 -0.0500 0.8470 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3790 1.1350 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3900 2.3580 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 2.7920 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6370 3.9380 -0.5650 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9110 4.1220 -0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4230 3.2040 0.7130 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9840 -1.4470 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 -1.4030 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4450 -2.5700 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 -3.7780 -2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3950 -3.8220 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4470 -2.6580 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4060 0.1700 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5450 0.9650 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4160 2.3380 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1490 2.9210 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 20 1 0
2 3 1 0
2 17 1 0
3 4 2 0
3 11 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 2 0
8 9 1 0
9 10 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
17 18 2 0
18 19 1 0
19 20 2 0
M END
> <ACTIVITY> (154)
6.38
$$$$
Ro22-3245
23 26 0 0 0 0 0 0 0 0999 V2000
0.2790 2.1580 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 0.7650 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1690 -0.2310 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2390 -0.1130 0.9600 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4130 1.0810 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6230 2.2910 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6230 2.7720 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8050 3.8660 -0.6750 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0070 4.4610 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0380 4.0700 0.1430 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8180 2.9820 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0580 -1.4590 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4680 -2.6750 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3720 -3.8530 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8670 -3.8200 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4580 -2.6090 -2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5500 -1.4230 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0780 0.0470 -2.6760 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2650 0.2570 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3510 1.1160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1510 2.4840 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8510 2.9960 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9500 0.4790 -0.0410 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 11 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
20 23 1 0
21 22 2 0
M END
> <ACTIVITY> (155)
8.55
$$$$
Ro22-4683
26 28 0 0 0 0 0 0 0 0999 V2000
-2.1190 2.5410 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3640 1.1700 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2980 0.2670 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0230 0.7480 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2930 2.1270 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8000 3.0080 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6320 2.6470 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5640 2.2790 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1780 1.1180 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1420 -0.1120 1.0520 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1280 -0.2460 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -1.4510 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4440 -2.6790 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3920 -3.8420 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9630 -3.7830 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5880 -2.5610 -2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6370 -1.3900 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2130 0.0950 -2.7180 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6540 2.8400 1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0180 3.6450 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4080 3.2760 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0770 3.6490 -2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0860 5.0720 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7470 0.6760 0.1860 N 0 3 0 0 0 0 0 0 0 0 0 0
-3.9310 -0.5530 0.2580 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6730 1.5080 0.1580 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 24 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
20 21 1 0
20 22 1 0
20 23 1 0
24 25 2 0
24 26 1 0
M END
> <ACTIVITY> (156)
6.52
$$$$
Ro22-6762
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1270 2.5090 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4090 1.1950 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3620 0.3000 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0210 0.7350 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2720 2.0930 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8040 2.9530 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6000 2.6390 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6030 2.1970 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2330 1.0790 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1250 -0.1600 1.0850 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0940 -0.2640 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0580 -1.4370 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 -1.3000 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5830 -2.4050 -2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0400 -3.6440 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5160 -3.7810 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5310 -2.6800 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7360 2.6950 0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8980 3.8040 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7330 -1.3130 0.9300 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.0770 0.7450 0.2420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
3 20 1 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (157)
7.4
$$$$
Temazepam
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1350 2.5070 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3600 1.1510 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 0.2850 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 0.7770 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2820 2.1590 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8280 3.0040 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5940 2.7330 0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 2.2290 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 1.0500 1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1680 -0.1450 1.0160 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1320 -0.2350 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -1.4410 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 -2.6770 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4250 -3.8100 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 -3.7110 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4830 -2.4790 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -1.3420 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2990 0.8910 2.8310 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7780 2.7140 0.8540 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8430 3.9650 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9680 0.5400 0.0560 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 21 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 20 1 0
8 9 1 0
8 19 2 0
9 10 1 0
9 18 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
M END
> <ACTIVITY> (158)
7.8
$$$$
Tetrazepam
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1350 2.5010 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3550 1.1430 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2800 0.2790 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0390 0.7750 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 2.1590 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8290 3.0020 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5940 2.7410 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 2.2340 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 1.0680 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -0.1450 0.9930 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 -0.2350 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 -1.4450 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5520 -1.3150 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3820 -2.4770 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4810 -3.8330 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6330 -3.8530 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 -2.7650 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7780 2.7190 0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8350 3.9820 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9610 0.5260 0.0310 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
2 20 1 0
3 4 2 0
4 5 1 0
4 11 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 19 1 0
8 9 1 0
8 18 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
M END
> <ACTIVITY> (159)
7.47
$$$$
Triazolam
23 26 0 0 0 0 0 0 0 0999 V2000
0.2560 2.1840 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0540 0.7890 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1750 -0.2120 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2470 -0.1330 0.9110 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4270 1.0300 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5810 2.2530 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5550 2.7480 0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0840 3.8990 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3140 4.0840 0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6260 3.0530 0.8960 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4350 4.7380 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0490 -1.4190 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4890 -2.6420 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3820 -3.8100 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8460 -3.7610 -2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4250 -2.5420 -2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5290 -1.3660 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 0.1110 -2.7360 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 0.2780 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3440 1.1360 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1470 2.5080 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8530 3.0320 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9400 0.4940 -0.0540 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
20 23 1 0
21 22 2 0
M END
> <ACTIVITY> (160)
8.4
$$$$
U-35005
22 25 0 0 0 0 0 0 0 0999 V2000
0.2570 2.1800 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0530 0.7870 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1720 -0.2160 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2380 -0.1390 0.9210 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4100 1.0240 1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5730 2.2470 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5540 2.7430 0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0900 3.8940 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3160 4.0770 0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6190 3.0460 0.9180 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4510 4.7330 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0520 -1.4230 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4950 -2.6450 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3950 -3.8110 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8640 -3.7600 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 -2.5420 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 -1.3680 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 0.1100 -2.7360 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2590 0.2810 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 1.1370 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1450 2.5080 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8510 3.0300 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 12 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
12 13 2 0
12 17 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
19 20 2 0
20 21 1 0
21 22 2 0
M END
> <ACTIVITY> (161)
8.37
$$$$
alpha-Hydroxymidazolam
24 27 0 0 0 0 0 0 0 0999 V2000
0.2630 2.1640 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0420 0.7790 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1540 -0.2290 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2090 -0.1320 0.9660 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 1.0480 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5630 2.2290 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5750 2.7080 0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1230 3.8150 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3410 4.0770 -0.0910 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6230 3.0930 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4440 4.5450 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3390 5.5600 -2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0510 -1.4420 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4950 -2.6760 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4080 -3.8170 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8900 -3.7300 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4630 -2.4990 -2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5500 -1.3620 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 -0.1860 -2.4650 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 0.2850 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3520 1.1550 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1370 2.5200 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8350 3.0270 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9580 0.5380 0.0380 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 23 1 0
2 3 1 0
2 20 1 0
3 4 2 0
3 13 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
11 12 1 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
20 21 2 0
21 22 1 0
21 24 1 0
22 23 2 0
M END
> <ACTIVITY> (162)
8.35
$$$$
alpha-hydroxytriazolam
23 26 0 0 0 0 0 0 0 0999 V2000
0.2630 2.1690 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 0.7820 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1540 -0.2310 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.1360 0.9640 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3830 1.0500 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5680 2.2460 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5680 2.7200 0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1200 3.8440 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3350 4.0440 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 3.0410 0.8910 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 4.6360 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3960 5.6500 -1.9840 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0470 -1.4470 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4900 -2.6810 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4060 -3.8240 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8900 -3.7360 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 -2.5060 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5420 -1.3600 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2730 0.2880 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3510 1.1540 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1380 2.5180 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8370 3.0270 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9570 0.5330 0.0340 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 7 1 0
1 22 1 0
2 3 1 0
2 19 1 0
3 4 2 0
3 13 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 10 2 0
7 8 1 0
8 9 2 0
8 11 1 0
9 10 1 0
11 12 1 0
13 14 2 0
13 18 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
19 20 2 0
20 21 1 0
20 23 1 0
21 22 2 0
M END
> <ACTIVITY> (163)
8.38
$$$$
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